 Entering Gaussian System, Link 0=g16
 Input=08_d-glucose_conformer001_STD_M11_augccpVDZ.in
 Output=08_d-glucose_conformer001_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-48933.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     48957.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer001_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:47:16 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer001_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.639995000000      1.210425000000     -0.197110000000
  C                                                -1.660478000000      0.161160000000      0.197504000000
  C                                                 0.736747000000      0.795510000000      0.286144000000
  C                                                 1.079369000000     -0.604203000000     -0.228054000000
  O                                                 0.067145000000     -1.517619000000      0.198419000000
  C                                                -1.216562000000     -1.213556000000     -0.304644000000
  O                                                -0.922508000000      2.483202000000      0.369953000000
  H                                                -0.621099000000      1.285662000000     -1.292336000000
  O                                                -2.907145000000      0.541846000000     -0.359981000000
  H                                                -1.721531000000      0.118750000000      1.294206000000
  H                                                 0.727111000000      0.765851000000      1.383318000000
  O                                                 1.732438000000      1.706543000000     -0.165282000000
  C                                                 2.410891000000     -1.123511000000      0.302675000000
  H                                                 1.126892000000     -0.582940000000     -1.324712000000
  O                                                -2.103572000000     -2.214928000000      0.095778000000
  H                                                -1.218810000000     -1.228110000000     -1.401446000000
  H                                                -1.811275000000      2.739925000000      0.096905000000
  H                                                -3.533704000000     -0.176051000000     -0.206287000000
  H                                                 1.430942000000      2.597378000000      0.052923000000
  O                                                 3.515463000000     -0.471377000000     -0.290315000000
  H                                                 2.491301000000     -2.182395000000      0.056578000000
  H                                                 2.421925000000     -1.030336000000      1.397090000000
  H                                                -1.970048000000     -2.365618000000      1.041455000000
  H                                                 3.363901000000      0.481596000000     -0.225378000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:47:16 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.639995    1.210425   -0.197110
      2          6           0       -1.660478    0.161160    0.197504
      3          6           0        0.736747    0.795510    0.286144
      4          6           0        1.079369   -0.604203   -0.228054
      5          8           0        0.067145   -1.517619    0.198419
      6          6           0       -1.216562   -1.213556   -0.304644
      7          8           0       -0.922508    2.483202    0.369953
      8          1           0       -0.621099    1.285662   -1.292336
      9          8           0       -2.907145    0.541846   -0.359981
     10          1           0       -1.721531    0.118750    1.294206
     11          1           0        0.727111    0.765851    1.383318
     12          8           0        1.732438    1.706543   -0.165282
     13          6           0        2.410891   -1.123511    0.302675
     14          1           0        1.126892   -0.582940   -1.324712
     15          8           0       -2.103572   -2.214928    0.095778
     16          1           0       -1.218810   -1.228110   -1.401446
     17          1           0       -1.811275    2.739925    0.096905
     18          1           0       -3.533704   -0.176051   -0.206287
     19          1           0        1.430942    2.597378    0.052923
     20          8           0        3.515463   -0.471377   -0.290315
     21          1           0        2.491301   -2.182395    0.056578
     22          1           0        2.421925   -1.030336    1.397090
     23          1           0       -1.970048   -2.365618    1.041455
     24          1           0        3.363901    0.481596   -0.225378
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515936   0.000000
     3  C    1.516940   2.481319   0.000000
     4  C    2.500009   2.876394   1.530028   0.000000
     5  O    2.845824   2.408938   2.409695   1.428568   0.000000
     6  C    2.493928   1.529398   2.863703   2.376652   1.411889
     7  O    1.421737   2.442584   2.368218   3.727894   4.124973
     8  H    1.097970   2.136454   2.139064   2.756062   3.248756
     9  O    2.369281   1.417706   3.709417   4.150076   3.660547
    10  H    2.141378   1.099219   2.741774   3.268788   2.660416
    11  H    2.136440   2.733567   1.097617   2.144214   2.655895
    12  O    2.423960   3.745891   1.423084   2.402080   3.647012
    13  C    3.873622   4.270537   2.546698   1.524567   2.378936
    14  H    2.758538   3.261941   2.155735   1.097893   2.077647
    15  O    3.736427   2.419189   4.143234   3.581957   2.282277
    16  H    2.780630   2.163743   3.281341   2.654757   2.072936
    17  H    1.948772   2.585128   3.210760   4.432224   4.654616
    18  H    3.208731   1.945696   4.407173   4.632951   3.863898
    19  H    2.504982   3.938647   1.945001   3.233059   4.337547
    20  O    4.483857   5.237216   3.107824   2.440507   3.636534
    21  H    4.623916   4.769631   3.463969   2.136646   2.517653
    22  H    4.115560   4.418674   2.721716   2.150614   2.686865
    23  H    4.011380   2.681920   4.229653   3.743418   2.362195
    24  H    4.069788   5.052316   2.694835   2.529437   3.878797
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.769293   0.000000
     8  H    2.752490   2.070786   0.000000
     9  O    2.437739   2.870619   2.578479   0.000000
    10  H    2.141578   2.661450   3.043490   2.078708   0.000000
    11  H    3.247327   2.587942   3.040888   4.036965   2.534271
    12  O    4.152469   2.817519   2.643204   4.787500   4.071989
    13  C    3.679043   4.911665   4.188214   5.611955   4.427557
    14  H    2.632488   4.058714   2.558944   4.297593   3.932507
    15  O    1.396378   4.852062   4.047063   2.907447   2.651082
    16  H    1.096901   4.123043   2.586158   2.658546   3.055045
    17  H    4.018076   0.964556   2.336962   2.498245   2.883079
    18  H    2.540716   3.771210   3.435022   0.965181   2.371151
    19  H    4.654068   2.377451   2.782300   4.818164   4.197912
    20  O    4.789895   5.372251   4.604604   6.502412   5.503187
    21  H    3.849335   5.789654   4.851188   6.061207   4.957312
    22  H    4.020952   4.958346   4.675131   5.827353   4.301071
    23  H    1.925349   5.005928   4.538512   3.360881   2.509527
    24  H    4.884717   4.768034   4.202993   6.272780   5.320001
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.072136   0.000000
    13  C    2.751835   2.947624   0.000000
    14  H    3.051637   2.636797   2.142256   0.000000
    15  O    4.307618   5.491909   4.649126   3.888068   0.000000
    16  H    3.939213   4.341676   4.011197   2.434019   1.999573
    17  H    3.463413   3.700611   5.726706   4.657816   4.963467
    18  H    4.644197   5.592682   6.041104   4.810155   2.508693
    19  H    2.370616   0.965453   3.855865   3.479188   5.971006
    20  O    3.479467   2.817472   1.413151   2.605320   5.895981
    21  H    3.683037   3.968493   1.090076   2.515518   4.595155
    22  H    2.469589   3.225974   1.098430   3.047209   4.855594
    23  H    4.147003   5.634458   4.613161   4.285758   0.966872
    24  H    3.101833   2.041024   1.939958   2.710347   6.104723
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.282683   0.000000
    18  H    2.809621   3.400236   0.000000
    19  H    4.875524   3.245647   5.692698   0.000000
    20  O    4.921443   6.231897   7.055851   3.725627   0.000000
    21  H    4.098953   6.537815   6.355722   4.895978   2.024062
    22  H    4.596289   5.815955   6.226567   3.993638   2.087007
    23  H    2.797508   5.194608   2.965819   6.097152   5.954208
    24  H    5.030653   5.655649   6.928912   2.879291   0.967133
                   21         22         23         24
    21  H    0.000000
    22  H    1.768905   0.000000
    23  H    4.572438   4.604224   0.000000
    24  H    2.817406   2.409494   6.177581   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.639995    1.210425   -0.197110
      2          6           0       -1.660478    0.161160    0.197504
      3          6           0        0.736747    0.795510    0.286144
      4          6           0        1.079369   -0.604203   -0.228054
      5          8           0        0.067145   -1.517619    0.198419
      6          6           0       -1.216562   -1.213556   -0.304644
      7          8           0       -0.922509    2.483202    0.369953
      8          1           0       -0.621099    1.285662   -1.292336
      9          8           0       -2.907145    0.541845   -0.359981
     10          1           0       -1.721531    0.118750    1.294206
     11          1           0        0.727111    0.765851    1.383318
     12          8           0        1.732438    1.706543   -0.165282
     13          6           0        2.410891   -1.123510    0.302675
     14          1           0        1.126892   -0.582940   -1.324712
     15          8           0       -2.103572   -2.214928    0.095778
     16          1           0       -1.218810   -1.228110   -1.401446
     17          1           0       -1.811276    2.739925    0.096905
     18          1           0       -3.533704   -0.176052   -0.206287
     19          1           0        1.430941    2.597378    0.052923
     20          8           0        3.515463   -0.471376   -0.290315
     21          1           0        2.491301   -2.182394    0.056578
     22          1           0        2.421925   -1.030335    1.397090
     23          1           0       -1.970048   -2.365618    1.041455
     24          1           0        3.363901    0.481597   -0.225378
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3109432           0.7353740           0.4929629
 Leave Link  202 at Thu Aug 12 20:47:16 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  36 primitive shells out of 432 were deleted.
 There are   408 symmetry adapted cartesian basis functions of A   symmetry.
 There are   384 symmetry adapted basis functions of A   symmetry.
   384 basis functions,   708 primitive gaussians,   408 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       827.8206295350 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 20:47:18 2021, MaxMem=  5368709120 cpu:              11.0 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   384 RedAO= T EigKep=  6.58D-06  NBF=   384
 NBsUse=   384 1.00D-06 EigRej= -1.00D+00 NBFU=   384
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   408   408   408   408   408 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Thu Aug 12 20:47:18 2021, MaxMem=  5368709120 cpu:               3.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:47:19 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer001_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:47:19 2021, MaxMem=  5368709120 cpu:               3.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368369012 LenY=  5368202107
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -686.983457358509    
 DIIS: error= 4.24D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -686.983457358509     IErMin= 1 ErrMin= 4.24D-03
 ErrMax= 4.24D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.27D-02 BMatP= 2.27D-02
 IDIUse=3 WtCom= 9.58D-01 WtEn= 4.24D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.467 Goal=   None    Shift=    0.000
 GapD=    0.467 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.24D-02 MaxDP=8.67D-01              OVMax= 1.95D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.24D-02    CP:  9.61D-01
 E= -687.004061893629     Delta-E=       -0.020604535120 Rises=F Damp=F
 DIIS: error= 8.17D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -687.004061893629     IErMin= 2 ErrMin= 8.17D-04
 ErrMax= 8.17D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-03 BMatP= 2.27D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.17D-03
 Coeff-Com:  0.278D-01 0.972D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.276D-01 0.972D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.07D-03 MaxDP=1.89D-01 DE=-2.06D-02 OVMax= 6.82D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.14D-03    CP:  9.64D-01  1.14D+00
 E= -687.004734917985     Delta-E=       -0.000673024356 Rises=F Damp=F
 DIIS: error= 7.23D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -687.004734917985     IErMin= 3 ErrMin= 7.23D-04
 ErrMax= 7.23D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-03 BMatP= 1.45D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.23D-03
 Coeff-Com: -0.539D-01 0.496D+00 0.558D+00
 Coeff-En:   0.000D+00 0.260D+00 0.740D+00
 Coeff:     -0.535D-01 0.494D+00 0.560D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=3.69D-04 MaxDP=3.12D-02 DE=-6.73D-04 OVMax= 3.17D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.02D-04    CP:  9.62D-01  1.16D+00  1.13D+00
 E= -687.005562159134     Delta-E=       -0.000827241149 Rises=F Damp=F
 DIIS: error= 8.07D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -687.005562159134     IErMin= 4 ErrMin= 8.07D-05
 ErrMax= 8.07D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-05 BMatP= 1.25D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.253D-02-0.414D-01 0.142D-01 0.103D+01
 Coeff:     -0.253D-02-0.414D-01 0.142D-01 0.103D+01
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=1.97D-04 MaxDP=1.83D-02 DE=-8.27D-04 OVMax= 9.61D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.44D-04    CP:  9.59D-01  1.16D+00  1.20D+00  1.29D+00
 E= -687.005583322133     Delta-E=       -0.000021162999 Rises=F Damp=F
 DIIS: error= 5.27D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -687.005583322133     IErMin= 5 ErrMin= 5.27D-05
 ErrMax= 5.27D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.15D-06 BMatP= 1.23D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.457D-02-0.626D-01-0.551D-01 0.372D+00 0.741D+00
 Coeff:      0.457D-02-0.626D-01-0.551D-01 0.372D+00 0.741D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=3.89D-05 MaxDP=3.50D-03 DE=-2.12D-05 OVMax= 3.51D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.17D-05    CP:  9.59D-01  1.16D+00  1.21D+00  1.34D+00  1.18D+00
 E= -687.005587281364     Delta-E=       -0.000003959231 Rises=F Damp=F
 DIIS: error= 8.17D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -687.005587281364     IErMin= 6 ErrMin= 8.17D-06
 ErrMax= 8.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-07 BMatP= 3.15D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.712D-03-0.320D-02-0.863D-02-0.442D-01 0.840D-01 0.971D+00
 Coeff:      0.712D-03-0.320D-02-0.863D-02-0.442D-01 0.840D-01 0.971D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=1.48D-05 MaxDP=1.37D-03 DE=-3.96D-06 OVMax= 1.16D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.49D-06    CP:  9.58D-01  1.16D+00  1.21D+00  1.35D+00  1.24D+00
                    CP:  1.17D+00
 E= -687.005587523484     Delta-E=       -0.000000242120 Rises=F Damp=F
 DIIS: error= 4.63D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -687.005587523484     IErMin= 7 ErrMin= 4.63D-06
 ErrMax= 4.63D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.82D-08 BMatP= 1.37D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.115D-03 0.456D-02 0.162D-02-0.563D-01-0.346D-01 0.408D+00
 Coeff-Com:  0.676D+00
 Coeff:     -0.115D-03 0.456D-02 0.162D-02-0.563D-01-0.346D-01 0.408D+00
 Coeff:      0.676D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=3.78D-06 MaxDP=2.80D-04 DE=-2.42D-07 OVMax= 3.58D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.59D-06    CP:  9.58D-01  1.16D+00  1.20D+00  1.35D+00  1.25D+00
                    CP:  1.21D+00  1.22D+00
 E= -687.005587561175     Delta-E=       -0.000000037691 Rises=F Damp=F
 DIIS: error= 1.10D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -687.005587561175     IErMin= 8 ErrMin= 1.10D-06
 ErrMax= 1.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.49D-09 BMatP= 3.82D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.111D-03 0.133D-02 0.164D-02-0.653D-02-0.184D-01-0.469D-01
 Coeff-Com:  0.161D+00 0.908D+00
 Coeff:     -0.111D-03 0.133D-02 0.164D-02-0.653D-02-0.184D-01-0.469D-01
 Coeff:      0.161D+00 0.908D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=1.53D-06 MaxDP=7.54D-05 DE=-3.77D-08 OVMax= 1.54D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.27D-07    CP:  9.58D-01  1.16D+00  1.20D+00  1.34D+00  1.25D+00
                    CP:  1.23D+00  1.35D+00  1.21D+00
 E= -687.005587564726     Delta-E=       -0.000000003551 Rises=F Damp=F
 DIIS: error= 2.31D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -687.005587564726     IErMin= 9 ErrMin= 2.31D-07
 ErrMax= 2.31D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-10 BMatP= 2.49D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.175D-04 0.146D-04 0.324D-03 0.218D-02-0.236D-02-0.387D-01
 Coeff-Com: -0.384D-02 0.220D+00 0.823D+00
 Coeff:     -0.175D-04 0.146D-04 0.324D-03 0.218D-02-0.236D-02-0.387D-01
 Coeff:     -0.384D-02 0.220D+00 0.823D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=3.41D-07 MaxDP=2.61D-05 DE=-3.55D-09 OVMax= 3.20D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.79D-07    CP:  9.59D-01  1.16D+00  1.20D+00  1.34D+00  1.24D+00
                    CP:  1.23D+00  1.37D+00  1.25D+00  1.22D+00
 E= -687.005587564967     Delta-E=       -0.000000000241 Rises=F Damp=F
 DIIS: error= 8.46D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -687.005587564967     IErMin=10 ErrMin= 8.46D-08
 ErrMax= 8.46D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-11 BMatP= 1.51D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.709D-05-0.137D-03-0.872D-04 0.133D-02 0.121D-02-0.587D-02
 Coeff-Com: -0.172D-01-0.359D-01 0.195D+00 0.862D+00
 Coeff:      0.709D-05-0.137D-03-0.872D-04 0.133D-02 0.121D-02-0.587D-02
 Coeff:     -0.172D-01-0.359D-01 0.195D+00 0.862D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=1.13D-07 MaxDP=7.08D-06 DE=-2.41D-10 OVMax= 1.20D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.61D-08    CP:  9.59D-01  1.16D+00  1.20D+00  1.34D+00  1.24D+00
                    CP:  1.23D+00  1.37D+00  1.27D+00  1.31D+00  1.11D+00
 E= -687.005587564959     Delta-E=        0.000000000008 Rises=F Damp=F
 DIIS: error= 2.06D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -687.005587564967     IErMin=11 ErrMin= 2.06D-08
 ErrMax= 2.06D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-12 BMatP= 1.44D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.313D-05-0.324D-04-0.506D-04 0.124D-03 0.463D-03 0.169D-02
 Coeff-Com: -0.307D-02-0.238D-01-0.234D-01 0.181D+00 0.867D+00
 Coeff:      0.313D-05-0.324D-04-0.506D-04 0.124D-03 0.463D-03 0.169D-02
 Coeff:     -0.307D-02-0.238D-01-0.234D-01 0.181D+00 0.867D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=2.93D-08 MaxDP=1.79D-06 DE= 8.19D-12 OVMax= 3.24D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.30D-08    CP:  9.59D-01  1.16D+00  1.20D+00  1.34D+00  1.24D+00
                    CP:  1.23D+00  1.37D+00  1.27D+00  1.32D+00  1.17D+00
                    CP:  1.21D+00
 E= -687.005587564944     Delta-E=        0.000000000015 Rises=F Damp=F
 DIIS: error= 1.21D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -687.005587564967     IErMin=12 ErrMin= 1.21D-08
 ErrMax= 1.21D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.48D-13 BMatP= 1.22D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.494D-06 0.222D-05-0.124D-04-0.101D-03 0.644D-04 0.143D-02
 Coeff-Com:  0.693D-03-0.631D-02-0.328D-01-0.190D-01 0.388D+00 0.668D+00
 Coeff:      0.494D-06 0.222D-05-0.124D-04-0.101D-03 0.644D-04 0.143D-02
 Coeff:      0.693D-03-0.631D-02-0.328D-01-0.190D-01 0.388D+00 0.668D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=8.35D-09 MaxDP=6.47D-07 DE= 1.55D-11 OVMax= 1.09D-07

 SCF Done:  E(RM11) =  -687.005587565     A.U. after   12 cycles
            NFock= 12  Conv=0.84D-08     -V/T= 2.0068
 KE= 6.823359040780D+02 PE=-3.266396353128D+03 EE= 1.069234231950D+03
 Leave Link  502 at Thu Aug 12 20:53:21 2021, MaxMem=  5368709120 cpu:            2882.0 elap:             361.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   384
 NBasis=   384 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    384 NOA=    48 NOB=    48 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.66942445D+02

 Leave Link  801 at Thu Aug 12 20:53:21 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7447 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          24
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.69D-13 8.33D-09 XBig12= 1.00D+00 1.01D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.69D-13 8.33D-09 XBig12= 1.31D-01 3.74D-02.
     11 vectors produced by pass  2 Test12= 2.69D-13 8.33D-09 XBig12= 2.52D-02 1.94D-02.
     11 vectors produced by pass  3 Test12= 2.69D-13 8.33D-09 XBig12= 3.72D-03 6.44D-03.
     11 vectors produced by pass  4 Test12= 2.69D-13 8.33D-09 XBig12= 4.34D-04 2.18D-03.
     11 vectors produced by pass  5 Test12= 2.69D-13 8.33D-09 XBig12= 2.70D-05 6.41D-04.
     11 vectors produced by pass  6 Test12= 2.69D-13 8.33D-09 XBig12= 1.13D-06 1.19D-04.
     11 vectors produced by pass  7 Test12= 2.69D-13 8.33D-09 XBig12= 4.21D-08 1.84D-05.
     11 vectors produced by pass  8 Test12= 2.69D-13 8.33D-09 XBig12= 1.16D-09 3.60D-06.
     11 vectors produced by pass  9 Test12= 2.69D-13 8.33D-09 XBig12= 4.11D-11 6.15D-07.
      8 vectors produced by pass 10 Test12= 2.69D-13 8.33D-09 XBig12= 1.23D-12 8.43D-08.
      3 vectors produced by pass 11 Test12= 2.69D-13 8.33D-09 XBig12= 2.65D-14 1.44D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   121 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.112532D+03
      2  0.892263D+00  0.101200D+03
      3 -0.253400D+00 -0.159153D+01  0.852548D+02
 Isotropic polarizability for W=    0.088559       99.66 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.293630D+02 -0.121984D+02 -0.171453D+02
      2  -0.237476D+02  0.125980D+02  0.111367D+02
      3  -0.561539D+01 -0.399645D+00  0.600865D+01
      4  -0.206975D+02 -0.711174D+01 -0.131136D+01
      5  -0.802188D+01 -0.283944D+01  0.873769D+01
      6  -0.407443D+00  0.132163D+02 -0.119222D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.148303D+01 -0.427890D+01  0.642407D+01
      2  -0.368518D+01 -0.189244D+00  0.516221D+01
      3  -0.597089D+01 -0.109857D+02  0.135437D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.152808D+01  0.207965D+01  0.115226D+02
      2  -0.912347D+01 -0.903920D+00  0.143531D+02
      3  -0.849916D+01 -0.166359D+02  0.243200D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.200545D+00  0.111054D+01  0.264637D+00
      2   0.111054D+01 -0.290310D+00  0.117053D+01
      3   0.264637D+00  0.117053D+01 -0.228139D+00
 OR G Eigenvalues:    -1.6762    -0.2673     1.6256  Iso=     0.1060
 Eigenvectors:
   (1)  -0.369958   0.754411  -0.542213
   (2)   0.717011  -0.139276  -0.683007
   (3)   0.590785   0.641456   0.489395
 w=    0.088559 a.u., Optical Rotation Beta=      0.1060 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =       29.83 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   73920 ScalPx= 1.36D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.87D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.48D-14 2.78D-09 XBig12= 1.00D+00 3.33D-01.
     30 vectors produced by pass  1 Test12= 4.48D-14 2.78D-09 XBig12= 6.05D-02 2.19D-02.
     30 vectors produced by pass  2 Test12= 4.48D-14 2.78D-09 XBig12= 4.11D-03 5.68D-03.
     30 vectors produced by pass  3 Test12= 4.48D-14 2.78D-09 XBig12= 6.84D-05 7.70D-04.
     30 vectors produced by pass  4 Test12= 4.48D-14 2.78D-09 XBig12= 1.32D-06 7.93D-05.
     30 vectors produced by pass  5 Test12= 4.48D-14 2.78D-09 XBig12= 2.05D-08 1.02D-05.
     30 vectors produced by pass  6 Test12= 4.48D-14 2.78D-09 XBig12= 2.49D-10 1.52D-06.
     30 vectors produced by pass  7 Test12= 4.48D-14 2.78D-09 XBig12= 3.29D-12 1.42D-07.
     22 vectors produced by pass  8 Test12= 4.48D-14 2.78D-09 XBig12= 3.24D-14 1.41D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   262 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 4.44D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 4.44D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.79D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.112532D+03  0.892263D+00 -0.253400D+00
      2   0.892263D+00  0.101200D+03 -0.159153D+01
      3  -0.253400D+00 -0.159153D+01  0.852548D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.148303D+01 -0.427890D+01  0.642407D+01
      2  -0.368518D+01 -0.189244D+00  0.516221D+01
      3  -0.597089D+01 -0.109857D+02  0.135437D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.293630D+02 -0.121984D+02 -0.171453D+02
      2  -0.237476D+02  0.125980D+02  0.111367D+02
      3  -0.561539D+01 -0.399645D+00  0.600865D+01
      4  -0.206975D+02 -0.711174D+01 -0.131136D+01
      5  -0.802188D+01 -0.283944D+01  0.873769D+01
      6  -0.407443D+00  0.132163D+02 -0.119222D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.284836D+01  0.220203D+01 -0.890730D+00  0.177837D+01  0.214325D+01
      2   0.220203D+01  0.187351D+01  0.187542D+00  0.214325D+01 -0.288733D+01
      3  -0.890730D+00  0.187542D+00 -0.603464D+00  0.227718D+00 -0.121845D+01
                 6             7             8             9            10 
      1   0.227718D+00 -0.108577D+01  0.455005D+00 -0.413870D+00  0.246537D+01
      2  -0.121845D+01  0.455005D+00 -0.197101D+01 -0.686247D+00 -0.162177D+01
      3   0.874105D+00 -0.413870D+00 -0.686247D+00  0.837897D+01  0.118493D+01
                11            12            13            14            15 
      1  -0.162177D+01  0.118493D+01 -0.235195D+01 -0.230032D+01 -0.510428D+00
      2  -0.185506D+01 -0.286203D+00 -0.230032D+01  0.201510D+01  0.883536D+00
      3  -0.286203D+00 -0.121899D+01 -0.510428D+00  0.883536D+00  0.123685D+01
                16            17            18            19            20 
      1   0.173171D+01 -0.602492D+00  0.405525D+00  0.172701D+01 -0.218028D+01
      2  -0.602492D+00  0.102677D+01  0.465072D+00 -0.218028D+01 -0.176834D+01
      3   0.405525D+00  0.465072D+00 -0.884511D+01  0.995639D+00  0.561744D-01
                21            22            23            24            25 
      1   0.995639D+00 -0.312698D+01 -0.256685D+01  0.676818D-01  0.166260D+01
      2   0.561744D-01 -0.256685D+01  0.267988D+01  0.945932D+00  0.140503D+00
      3   0.975852D+00  0.676818D-01  0.945932D+00  0.135290D+01  0.104014D+00
                26            27            28            29            30 
      1   0.140503D+00  0.104014D+00 -0.101548D+01  0.323066D+01 -0.122863D+01
      2   0.162445D+01  0.483187D+00  0.323066D+01  0.119503D+01  0.145051D+00
      3   0.483187D+00 -0.806805D+01 -0.122863D+01  0.145051D+00 -0.107456D+01
                31            32            33            34            35 
      1   0.337387D+01  0.254629D+01  0.182666D+00 -0.138659D+01  0.311501D+00
      2   0.254629D+01 -0.367267D+01 -0.103997D+01  0.311501D+00 -0.153690D+01
      3   0.182666D+00 -0.103997D+01 -0.817351D+00 -0.533692D+00  0.306239D-01
                36            37            38            39            40 
      1  -0.533692D+00  0.255878D+01 -0.274129D+01  0.729812D+00 -0.406040D+01
      2   0.306239D-01 -0.274129D+01 -0.193452D+00 -0.467627D+00 -0.968069D+00
      3   0.851744D+01  0.729812D+00 -0.467627D+00  0.111023D+00 -0.112311D+00
                41            42            43            44            45 
      1  -0.968069D+00 -0.112311D+00  0.290295D+01  0.247188D+00  0.222980D+00
      2  -0.315528D+01  0.101773D+01  0.247188D+00  0.121577D+01 -0.842158D+00
      3   0.101773D+01  0.632746D+00  0.222980D+00 -0.842158D+00 -0.126998D+01
                46            47            48            49            50 
      1  -0.389009D+01  0.520286D+00 -0.414505D+00  0.262290D+01  0.217887D+01
      2   0.520286D+00  0.195559D+01  0.738483D+00  0.217887D+01 -0.213482D+01
      3  -0.414505D+00  0.738483D+00 -0.324590D+00  0.121970D+00 -0.787987D+00
                51            52            53            54            55 
      1   0.121970D+00 -0.146456D+01  0.269695D+00  0.128541D+00  0.409919D+01
      2  -0.787987D+00  0.269695D+00 -0.119255D+01  0.943000D-01 -0.788283D+00
      3  -0.212275D+01  0.128541D+00  0.943000D-01  0.854527D+01  0.132102D+01
                56            57            58            59            60 
      1  -0.788283D+00  0.132102D+01 -0.295941D+00 -0.274053D+00 -0.270067D+00
      2   0.167959D+01 -0.148030D+00 -0.274053D+00  0.780862D+01  0.144331D+01
      3  -0.148030D+00  0.844700D+00 -0.270067D+00  0.144331D+01 -0.309370D+00
                61            62            63            64            65 
      1   0.197857D+01 -0.101576D+01  0.480521D-01  0.466442D+00 -0.275215D+00
      2  -0.101576D+01  0.320792D+01  0.167690D+01 -0.275215D+00 -0.331283D+00
      3   0.480521D-01  0.167690D+01  0.309723D+00 -0.979682D+00 -0.116780D-01
                66            67            68            69            70 
      1  -0.979682D+00 -0.197225D+00 -0.356044D+00  0.266362D-01 -0.159414D+01
      2  -0.116780D-01 -0.356044D+00  0.819471D+00 -0.113999D+01  0.111819D+00
      3   0.160796D+00  0.266362D-01 -0.113999D+01  0.303609D+00 -0.376720D-01
                71            72            73            74            75 
      1   0.111819D+00 -0.376720D-01 -0.421007D+01  0.323645D+01 -0.119836D+01
      2  -0.184294D+01  0.925026D+00  0.323645D+01  0.818919D+00 -0.589853D-01
      3   0.925026D+00 -0.771565D+01 -0.119836D+01 -0.589853D-01  0.941662D+00
                76            77            78            79            80 
      1   0.609446D+01 -0.328836D+00  0.361428D+00 -0.300271D+01  0.185458D+00
      2  -0.328836D+00  0.331502D+01 -0.960718D+00  0.185458D+00 -0.106244D+01
      3   0.361428D+00 -0.960718D+00  0.517108D+00 -0.144000D+01  0.535923D+00
                81            82            83            84            85 
      1  -0.144000D+01 -0.736854D+00  0.315337D+00  0.114239D+01  0.249559D+00
      2   0.535923D+00  0.315337D+00  0.259781D+00  0.406237D-01  0.229096D+00
      3  -0.204897D+00  0.114239D+01  0.406237D-01 -0.255722D+00  0.785524D-01
                86            87            88            89            90 
      1   0.229096D+00  0.785524D-01  0.201680D+01  0.101058D+00 -0.889642D+00
      2  -0.495839D+00  0.107956D+01  0.101058D+00  0.148214D+01 -0.269781D+00
      3   0.107956D+01 -0.555534D+00 -0.889642D+00 -0.269781D+00  0.799827D+01
                91            92            93            94            95 
      1  -0.215897D+00  0.221954D+00  0.107026D+01  0.270030D+00  0.461075D+00
      2   0.221954D+00  0.406169D+00  0.696709D-01  0.461075D+00 -0.420032D+00
      3   0.107026D+01  0.696709D-01 -0.103423D+00  0.653304D-01  0.954934D+00
                96            97            98            99           100 
      1   0.653304D-01  0.176279D+01  0.502201D-01  0.346513D+00  0.600501D+01
      2   0.954934D+00  0.502201D-01  0.157545D+01  0.230207D+00  0.208157D+01
      3  -0.297174D+00  0.346513D+00  0.230207D+00  0.760135D+01 -0.887354D+00
               101           102           103           104           105 
      1   0.208157D+01 -0.887354D+00  0.103542D+01  0.313097D+01  0.100669D+00
      2   0.361299D+01  0.112689D+00  0.313097D+01 -0.256539D+01 -0.102224D+01
      3   0.112689D+00 -0.166183D+00  0.100669D+00 -0.102224D+01 -0.891438D+00
               106           107           108           109           110 
      1  -0.182819D+01 -0.481156D+00  0.114260D+01  0.209712D+01 -0.305143D+01
      2  -0.481156D+00 -0.218269D+01  0.581089D+00 -0.305143D+01  0.639591D+00
      3   0.114260D+01  0.581089D+00 -0.138937D+00  0.193028D+01 -0.401443D+00
               111           112           113           114           115 
      1   0.193028D+01 -0.254271D+01 -0.178062D+01 -0.535619D-01  0.274949D+01
      2  -0.401443D+00 -0.178062D+01  0.701046D+01  0.150225D+01 -0.816922D-01
      3   0.137802D+01 -0.535619D-01  0.150225D+01 -0.233362D+00 -0.297620D+00
               116           117           118           119           120 
      1  -0.816922D-01 -0.297620D+00  0.911368D+00 -0.584961D+00 -0.109505D+01
      2   0.146709D+01  0.663831D+00 -0.584961D+00 -0.252347D-01 -0.361821D-01
      3   0.663831D+00 -0.823629D+01 -0.109505D+01 -0.361821D-01  0.704594D+00
               121           122           123           124           125 
      1  -0.593826D+00 -0.512327D-01 -0.759077D-01 -0.223777D+01 -0.103896D+00
      2  -0.512327D-01  0.225702D+00 -0.101256D+01 -0.103896D+00 -0.131117D+01
      3  -0.759077D-01 -0.101256D+01 -0.487492D-01  0.900919D+00 -0.483310D+00
               126           127           128           129           130 
      1   0.900919D+00 -0.420539D+01 -0.264435D+01  0.146041D+00 -0.263770D+01
      2  -0.483310D+00 -0.264435D+01 -0.279080D+01  0.491132D-01 -0.292479D+01
      3  -0.770167D+01  0.146041D+00  0.491132D-01  0.237705D-02 -0.305419D+00
               131           132           133           134           135 
      1  -0.292479D+01 -0.305419D+00 -0.618092D+00 -0.755425D+00 -0.191179D+00
      2  -0.520135D+01 -0.368930D+00 -0.755425D+00 -0.162437D+01  0.720860D+00
      3  -0.368930D+00  0.118873D+01 -0.191179D+00  0.720860D+00 -0.514826D+01
               136           137           138           139           140 
      1   0.775050D-01 -0.377476D+00 -0.119891D+01 -0.375340D+00 -0.551372D+00
      2  -0.377476D+00 -0.418924D+00 -0.751248D-01 -0.551372D+00 -0.357390D+00
      3  -0.119891D+01 -0.751248D-01 -0.242512D+00  0.367768D-01 -0.100934D+01
               141           142           143           144           145 
      1   0.367768D-01 -0.213781D+01 -0.338057D+00 -0.943303D+00 -0.550787D+01
      2  -0.100934D+01 -0.338057D+00 -0.153446D+01 -0.119084D+01  0.301651D+01
      3  -0.130801D+00 -0.943303D+00 -0.119084D+01 -0.805389D+01 -0.512872D+00
               146           147           148           149           150 
      1   0.301651D+01 -0.512872D+00  0.207974D+01 -0.170932D+01  0.144650D+00
      2  -0.339321D+01  0.518645D-01 -0.170932D+01  0.228687D+01 -0.270928D+00
      3   0.518645D-01 -0.105457D+01  0.144650D+00 -0.270928D+00  0.622071D+00
               151           152           153           154           155 
      1  -0.119041D+01  0.607835D+00 -0.735848D+00 -0.603766D+01 -0.200583D+01
      2   0.607835D+00 -0.962989D+00  0.671018D+00 -0.200583D+01 -0.182188D+01
      3  -0.735848D+00  0.671018D+00 -0.172243D+00  0.282587D-01  0.312527D-01
               156           157           158           159           160 
      1   0.282587D-01 -0.420492D+01 -0.183557D+01 -0.183247D+00  0.815064D+00
      2   0.312527D-01 -0.183557D+01 -0.239437D+01  0.227364D+00  0.163270D+00
      3  -0.953309D+00 -0.183247D+00  0.227364D+00 -0.623702D+00 -0.877604D+00
               161           162           163           164           165 
      1   0.163270D+00 -0.877604D+00 -0.455407D+00  0.592027D+00  0.217112D+00
      2   0.388065D+00 -0.248145D+00  0.592027D+00 -0.109034D+01 -0.449822D-01
      3  -0.248145D+00 -0.498941D-01  0.217112D+00 -0.449822D-01  0.377710D-01
               166           167           168           169           170 
      1   0.186836D+01  0.414978D+00 -0.109879D+00  0.476808D+00 -0.103732D-02
      2   0.414978D+00  0.781132D+01  0.493217D+00 -0.103732D-02  0.124985D+01
      3  -0.109879D+00  0.493217D+00  0.110005D+01  0.176493D+00  0.888606D+00
               171           172           173           174           175 
      1   0.176493D+00  0.842792D+01  0.873091D+00 -0.161462D+01 -0.112857D+00
      2   0.888606D+00  0.873091D+00  0.897642D+00  0.115187D+00  0.260074D+01
      3   0.166968D+00 -0.161462D+01  0.115187D+00 -0.247608D-01  0.173079D+00
               176           177           178           179           180 
      1   0.260074D+01  0.173079D+00 -0.267530D+01 -0.216896D+00  0.187643D+01
      2  -0.442125D+01 -0.637065D+00 -0.216896D+00 -0.609261D+00  0.897999D-01
      3  -0.637065D+00 -0.103261D+01  0.187643D+01  0.897999D-01 -0.547415D+00
               181           182           183           184           185 
      1   0.608245D+00 -0.121674D+01 -0.552002D+00 -0.229616D+01  0.234416D+01
      2  -0.121674D+01  0.660434D+00  0.915684D-01  0.234416D+01 -0.948018D+01
      3  -0.552002D+00  0.915684D-01  0.268611D+00  0.110043D+00 -0.830400D+00
               186           187           188           189           190 
      1   0.110043D+00 -0.116868D+01  0.433638D+00  0.491655D+00  0.627128D-01
      2  -0.830400D+00  0.433638D+00 -0.161720D+01 -0.128425D+01  0.286167D+00
      3  -0.101441D+01  0.491655D+00 -0.128425D+01  0.126297D+00  0.119877D+01
               191           192           193           194           195 
      1   0.286167D+00  0.119877D+01  0.823592D+00  0.247703D+00  0.209950D-01
      2   0.399394D-01  0.393862D-01  0.247703D+00 -0.819983D+00  0.966362D+00
      3   0.393862D-01 -0.767984D-01  0.209950D-01  0.966362D+00  0.417052D+00
               196           197           198           199           200 
      1   0.214581D+01 -0.225166D+00  0.106952D+01 -0.478011D+00 -0.215496D+00
      2  -0.225166D+00  0.134022D+01 -0.104196D+01 -0.215496D+00  0.839525D-01
      3   0.106952D+01 -0.104196D+01  0.900406D+01  0.430754D+00 -0.124982D+00
               201           202           203           204           205 
      1   0.430754D+00 -0.305091D+00 -0.243431D+00  0.186581D+00  0.177224D+01
      2  -0.124982D+00 -0.243431D+00 -0.135103D+01  0.862507D+00  0.888504D+00
      3   0.305540D+00  0.186581D+00  0.862507D+00 -0.111795D+01 -0.100455D+01
               206           207           208           209           210 
      1   0.888504D+00 -0.100455D+01  0.944228D-01  0.112703D+01  0.177430D+00
      2   0.254429D+01 -0.234588D+01  0.112703D+01 -0.434615D+00 -0.733688D-01
      3  -0.234588D+01  0.573587D+01  0.177430D+00 -0.733688D-01  0.367944D+00
               211           212           213           214           215 
      1   0.290481D+01 -0.406622D+00 -0.283956D+00  0.375196D+00 -0.144120D+00
      2  -0.406622D+00  0.538447D+01 -0.781245D-01 -0.144120D+00  0.325966D+00
      3  -0.283956D+00 -0.781245D-01  0.949972D+00  0.451749D+00  0.336129D+00
               216 
      1   0.451749D+00
      2   0.336129D+00
      3  -0.231920D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.123853D+01 -0.712840D-01 -0.259934D+00 -0.119600D+01  0.225654D+01
      2   0.926783D+00  0.394381D-01  0.155712D+01  0.535460D+00  0.160525D+01
      3  -0.146183D+01  0.335039D+00 -0.984970D+00  0.650039D+01 -0.189679D+00
                 6             7             8             9            10 
      1  -0.253556D+00  0.596803D+00  0.420273D+01 -0.880075D+01 -0.748254D+00
      2  -0.545190D-01 -0.304544D+01  0.602405D-01 -0.547005D+01 -0.250412D+01
      3  -0.395260D+00 -0.717644D+00 -0.140797D+01 -0.109603D+01 -0.235366D+01
                11            12            13            14            15 
      1  -0.155406D+01 -0.610884D+00 -0.340106D+00 -0.149523D+01 -0.196978D+01
      2  -0.103206D+00  0.138755D+01  0.504958D+00 -0.150813D+01 -0.191981D+01
      3  -0.615897D+01 -0.210584D+00  0.331025D+00  0.308099D+01  0.245797D+01
                16            17            18            19            20 
      1  -0.101312D+01  0.226576D+01 -0.402580D+00 -0.195896D+01  0.744608D-01
      2  -0.389818D+01 -0.876437D+00  0.127530D+02  0.869846D-01  0.110241D+01
      3  -0.470587D+00  0.175816D+01  0.960273D+00  0.278209D+01 -0.425973D+01
                21            22            23            24            25 
      1   0.213759D+00 -0.846743D+00 -0.130154D+01 -0.122197D+01  0.249196D+00
      2   0.723706D+00  0.619154D+00  0.911302D+00  0.237921D+00 -0.427226D+01
      3   0.432341D+00  0.247495D+01 -0.418945D+01 -0.137919D+01  0.174731D+01
                26            27            28            29            30 
      1   0.239328D+01  0.586417D+01 -0.156843D+01  0.442790D+00  0.747755D+00
      2   0.479345D+00 -0.469269D+01 -0.197894D+01  0.112281D+01 -0.209331D+01
      3  -0.100416D+01 -0.392567D+00 -0.443714D+01 -0.786647D+01  0.277049D+00
                31            32            33            34            35 
      1  -0.629020D+00  0.730082D-01 -0.768507D+00 -0.568425D+00  0.354754D+01
      2  -0.169717D+00 -0.131961D+01 -0.268254D+01 -0.541282D+01  0.863472D+00
      3  -0.348252D+01  0.584910D+01  0.208305D+01  0.708184D+00  0.980925D+00
                36            37            38            39            40 
      1   0.426631D+01  0.201091D+01 -0.110222D-01 -0.984537D+00  0.393725D+00
      2   0.138887D+02  0.370742D+00  0.186394D+00  0.100691D+02 -0.232695D+00
      3   0.577248D+00 -0.484060D+01 -0.156360D+01 -0.163471D+01  0.172164D+02
                41            42            43            44            45 
      1   0.732672D+00 -0.424958D+01  0.166450D+01  0.184427D+01  0.170550D+00
      2  -0.822923D-01  0.557629D+00 -0.659951D+01 -0.125720D+01  0.100589D+01
      3   0.208024D+01 -0.525785D-01 -0.463504D+01 -0.694798D+00 -0.349868D+00
                46            47            48            49            50 
      1  -0.432793D+00 -0.183048D+00 -0.333302D+00 -0.993422D+00 -0.117538D+00
      2   0.132650D+01  0.370993D+00 -0.368844D+01 -0.138718D+00  0.235667D+01
      3   0.723654D+01  0.334591D+01  0.743015D+00  0.945078D+00 -0.338846D+01
                51            52            53            54            55 
      1  -0.136519D+01 -0.129156D+01  0.356412D+01  0.923849D+01 -0.389891D+01
      2   0.327716D+01 -0.423484D+01 -0.122280D+01 -0.141859D+02 -0.324204D+01
      3  -0.201980D+01  0.187654D+01 -0.167675D+01 -0.419460D+00  0.142804D+02
                56            57            58            59            60 
      1   0.148687D+01 -0.135970D+01  0.194500D+01 -0.380969D+01 -0.557109D+01
      2   0.236408D+01  0.109690D+01  0.536304D+00 -0.216238D+01 -0.344887D+00
      3  -0.501090D+01  0.264917D+01  0.366808D+01  0.836045D+01  0.349188D+00
                61            62            63            64            65 
      1  -0.984104D+00  0.736308D+00 -0.293879D+01  0.115581D+01 -0.199584D-01
      2  -0.421730D+01 -0.286337D+00 -0.105465D+01  0.102194D+01 -0.341863D+00
      3   0.570091D+01  0.131165D+01  0.174077D+01  0.491179D+00 -0.151154D+01
                66            67            68            69            70 
      1  -0.462428D+00  0.104175D+00  0.127866D+01 -0.286673D+00 -0.244599D+00
      2   0.765875D+00 -0.210231D+00  0.479536D+00  0.760566D-01 -0.370961D+01
      3  -0.114986D+01  0.504962D+00  0.163071D+00 -0.736058D+00 -0.231163D+01
                71            72            73            74            75 
      1   0.336782D+01  0.950392D+01 -0.859419D+00  0.362132D-01  0.133070D+01
      2  -0.456587D+00  0.532425D+01  0.513190D+01  0.105220D+01  0.403250D+01
      3  -0.111219D+01  0.865066D+00  0.102929D+02 -0.120575D+00 -0.201385D+00
                76            77            78            79            80 
      1  -0.180671D+01 -0.598372D+00 -0.239402D+01  0.143970D+01  0.306268D+01
      2   0.825739D+00  0.282736D+01 -0.334284D+01 -0.842822D+00 -0.178131D+01
      3   0.746803D+01  0.153166D+02 -0.209519D+01 -0.544701D+00 -0.468527D+01
                81            82            83            84            85 
      1   0.420376D+00  0.221500D-01  0.249041D+00 -0.429509D-01  0.499520D+00
      2   0.251642D+01 -0.201880D+01 -0.807407D-01  0.455502D+00  0.831717D-01
      3   0.958079D+00  0.626829D+00 -0.341848D+00  0.114484D+00  0.150210D+01
                86            87            88            89            90 
      1  -0.433938D+00 -0.129120D+01  0.329095D+00  0.387860D+01 -0.127471D+01
      2  -0.186733D+01  0.102762D+01 -0.301276D+01  0.317411D+00 -0.132557D+02
      3  -0.620345D+00  0.150595D+01  0.205340D+00  0.280871D+01 -0.114021D+00
                91            92            93            94            95 
      1  -0.990941D+00  0.200517D+00  0.542281D+00  0.202550D+00 -0.133822D+01
      2   0.117969D+01  0.233507D+00  0.406325D-01  0.594723D+00  0.299569D+00
      3  -0.307372D+00 -0.912896D+00  0.804638D+00  0.995307D+00  0.340454D+00
                96            97            98            99           100 
      1  -0.377791D+00 -0.317363D+00  0.387974D+01 -0.664006D+01  0.223364D+01
      2  -0.672592D+00 -0.436876D+01  0.209160D+00  0.490662D+01 -0.177615D+01
      3  -0.471202D+00  0.127337D+01 -0.108944D+01 -0.619038D-01  0.891092D+01
               101           102           103           104           105 
      1  -0.873109D-01 -0.184129D+01  0.867771D+00  0.415927D+01 -0.228941D+01
      2  -0.833554D+00  0.483281D+01  0.136840D+00 -0.176672D+01  0.907729D+00
      3  -0.101659D+02 -0.139379D+01 -0.986738D+00  0.128916D+02  0.217309D+01
               106           107           108           109           110 
      1  -0.167448D+01  0.344941D+01  0.161329D+01  0.174389D+01 -0.202790D+00
      2  -0.136522D+01  0.857486D+00 -0.139209D+01  0.358311D+01 -0.410610D+00
      3  -0.390300D+01  0.405158D+01  0.815765D+00  0.307136D+01  0.270359D+01
               111           112           113           114           115 
      1   0.209810D+01 -0.166531D+01  0.743657D+01 -0.109965D+01 -0.147976D+01
      2   0.222086D+01  0.310305D+00  0.371357D+01 -0.185021D+01 -0.528416D+01
      3  -0.138699D+01  0.119107D+02 -0.148454D+02 -0.356235D+01 -0.299867D+01
               116           117           118           119           120 
      1   0.273155D+01 -0.135513D+02 -0.414041D+00  0.456048D-01  0.659945D+00
      2   0.204111D+01 -0.185139D+02 -0.108610D+01 -0.374613D+00  0.157574D+01
      3  -0.390365D+01 -0.152625D+01  0.468458D+00 -0.120190D+00  0.906289D+00
               121           122           123           124           125 
      1  -0.187184D+00 -0.951889D+00 -0.479548D+00  0.365241D+00  0.352277D+01
      2  -0.129191D+00 -0.123477D+01 -0.201921D-01 -0.364793D+01 -0.497363D+00
      3   0.197482D+01 -0.992493D+00  0.143305D+01  0.201793D+01  0.220240D+01
               126           127           128           129           130 
      1  -0.416434D+01  0.407895D-01 -0.256751D+00 -0.176955D+01  0.425382D+00
      2  -0.105296D+02 -0.476134D+00 -0.161653D+01  0.569406D+01  0.395298D+00
      3  -0.285516D+00  0.556690D+01 -0.568269D+01  0.881786D+00  0.528579D+01
               131           132           133           134           135 
      1   0.143218D+00 -0.304627D+01  0.125087D+01  0.471032D+01 -0.132237D+02
      2   0.570172D+00 -0.930709D+00 -0.107280D+01 -0.283800D+01  0.113932D+02
      3  -0.505161D+01 -0.560664D+00  0.326366D+00 -0.101115D+01  0.259144D+01
               136           137           138           139           140 
      1  -0.148292D+01  0.623715D-01 -0.386530D+00  0.619562D+00 -0.111867D+01
      2   0.218843D+01 -0.256370D-02  0.643576D+00  0.187959D+00  0.109528D+01
      3  -0.710322D+00 -0.125610D+01  0.180491D+01  0.561040D+00  0.948267D+00
               141           142           143           144           145 
      1  -0.435574D+00 -0.631794D+00  0.289568D+01 -0.940274D+01  0.307283D+01
      2  -0.153996D+00 -0.330414D+01  0.124991D+01  0.119095D+02  0.299864D+01
      3  -0.140998D+01  0.315356D+01 -0.177281D+01  0.603081D+00 -0.147626D+02
               146           147           148           149           150 
      1  -0.128858D+01  0.330675D+01 -0.105389D+01  0.131071D+01 -0.162014D+01
      2  -0.165306D+01  0.253625D+01 -0.116704D+01  0.104732D+01 -0.125302D+01
      3   0.292021D+01 -0.189631D+01  0.449092D+01 -0.273606D+01  0.156146D+00
               151           152           153           154           155 
      1   0.214768D+01 -0.951470D+00  0.636469D+00  0.131684D+01  0.754538D+00
      2   0.709267D+00 -0.118600D+01  0.578188D+00 -0.237552D+01 -0.120048D+01
      3  -0.373914D+01  0.459136D+00 -0.114672D+01 -0.997781D+01 -0.830380D+01
               156           157           158           159           160 
      1  -0.382586D+00  0.106919D+01  0.815910D+00 -0.370171D+00 -0.205319D+00
      2   0.343632D+01 -0.142191D+01 -0.173145D+01  0.263845D+01  0.179378D+01
      3   0.810747D-01 -0.760807D+01 -0.121420D+02  0.970385D+00  0.846102D+00
               161           162           163           164           165 
      1   0.815912D+00  0.333742D+00 -0.527436D+00  0.497695D+00  0.273928D+00
      2   0.948600D+00 -0.134632D-01  0.466105D+00 -0.164361D+00 -0.256456D+00
      3   0.217635D+01 -0.821510D+00 -0.405857D+01  0.414798D+01  0.850273D+00
               166           167           168           169           170 
      1   0.434631D+00 -0.280297D+01 -0.338045D+01 -0.289921D+00 -0.132910D+01
      2  -0.339897D+00  0.788938D+00  0.152470D+01 -0.886796D+00  0.124416D+01
      3   0.582121D+01 -0.169323D+02 -0.165922D+01  0.177308D+01 -0.321102D+01
               171           172           173           174           175 
      1  -0.485871D+00 -0.117784D+01 -0.982311D+00 -0.178559D+01  0.888661D+00
      2   0.137149D+00 -0.447588D+01 -0.103112D+01  0.686882D+01  0.404477D+00
      3  -0.106515D+01 -0.902978D+01 -0.124972D+02  0.184455D+01 -0.769362D+01
               176           177           178           179           180 
      1   0.147761D+01 -0.351590D+01  0.217490D+01  0.390494D+01  0.423401D+00
      2  -0.169412D+01 -0.176090D+01  0.220988D+01  0.967909D-01 -0.354365D+01
      3   0.191097D+02  0.124796D+01  0.204306D+01  0.380095D+01 -0.205993D+01
               181           182           183           184           185 
      1  -0.153375D+01  0.585045D+00  0.765801D+00  0.958368D+00 -0.517734D+01
      2  -0.144155D+01  0.582137D+00  0.140902D+01  0.502753D+00 -0.220250D+01
      3   0.262635D+01 -0.701925D+00  0.695106D+00  0.607374D+00  0.206485D+02
               186           187           188           189           190 
      1  -0.454215D+01  0.973412D+00 -0.166808D+01 -0.419144D+00  0.211331D+01
      2  -0.277673D+01  0.530143D+00 -0.308243D+01  0.291825D+00  0.358680D+01
      3   0.204977D+01  0.165007D+01  0.325239D+01  0.243604D+01 -0.250912D+00
               191           192           193           194           195 
      1  -0.290792D-01  0.231931D-03 -0.141702D+00  0.112086D+01  0.632202D+00
      2  -0.165956D+00 -0.185505D+00 -0.711181D+00  0.258758D+01  0.996271D+00
      3  -0.134436D+01 -0.159257D+01 -0.103991D+01  0.150951D+01 -0.217365D+01
               196           197           198           199           200 
      1   0.972198D+00  0.279248D+01  0.129885D+02  0.999000D+00  0.153751D-01
      2  -0.238947D+01 -0.224915D+01  0.218974D+02 -0.189594D+01 -0.288777D-01
      3  -0.239849D+01 -0.318404D+01  0.186141D+01 -0.275424D+00  0.145517D+00
               201           202           203           204           205 
      1   0.960203D+00  0.505463D+00  0.227289D+01 -0.291268D+01 -0.248788D+01
      2  -0.834072D+00 -0.656549D+00 -0.212451D+01  0.264394D+01  0.695857D-01
      3  -0.116779D+01  0.433809D+00 -0.185046D+01  0.143781D+01 -0.251432D+01
               206           207           208           209           210 
      1  -0.389397D+01  0.150196D+02 -0.353991D+00  0.235670D+00 -0.680178D+00
      2   0.548282D+01 -0.130752D+02  0.281745D+00  0.160590D+00  0.366872D+00
      3   0.337435D+01 -0.307469D+01 -0.432957D+01  0.361212D+01  0.332154D+00
               211           212           213           214           215 
      1   0.678982D-01 -0.313954D+01  0.153630D+00 -0.533605D+00  0.885030D+00
      2  -0.460018D+00 -0.588740D+00  0.387548D+01 -0.212359D-01  0.144253D+01
      3   0.439229D+01 -0.269196D+02  0.524614D+00  0.911406D+00 -0.142336D+01
               216 
      1   0.273263D-01
      2  -0.749139D+00
      3  -0.995552D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.137123D+00 -0.685414D+01  0.205519D+00 -0.542285D+01  0.757014D+01
      2   0.328763D+01  0.885773D+01 -0.437305D+00  0.668966D+01 -0.169973D+02
      3  -0.315051D+01 -0.200359D+01  0.231786D+00 -0.126681D+01  0.942714D+01
      4  -0.507129D+01 -0.120899D+01 -0.852961D+00 -0.699731D+01  0.765351D+01
      5   0.140588D+01 -0.833283D+00 -0.200650D+00 -0.205572D+01  0.178365D+01
      6   0.152537D+00  0.139959D+01  0.333905D+00  0.211616D+01 -0.613934D+01
                 6             7             8             9            10 
      1   0.237171D+01  0.135050D+01  0.369866D+01  0.783778D+01 -0.150356D+02
      2  -0.216806D+01  0.164504D+00 -0.942517D+01  0.406650D+01  0.630249D+01
      3  -0.203649D+00 -0.151500D+01  0.572651D+01 -0.119043D+02  0.873314D+01
      4   0.213582D+01 -0.196717D+01  0.344638D+01  0.182372D+00  0.830043D+01
      5  -0.155710D+00  0.118164D+01  0.137385D+01 -0.117489D+02 -0.702525D+01
      6  -0.491257D+01 -0.157239D+00 -0.256536D+01  0.222158D+02  0.457378D+00
                11            12            13            14            15 
      1   0.441301D+01 -0.220035D+01  0.926331D+01  0.837183D+01  0.136820D+01
      2  -0.149087D+01  0.350366D+01 -0.564941D+01 -0.429347D+01 -0.162581D+01
      3  -0.292214D+01 -0.130331D+01 -0.361389D+01 -0.407836D+01  0.257611D+00
      4  -0.893576D+00  0.126684D+01  0.585742D+01 -0.652745D+01 -0.224692D+01
      5   0.963763D+00 -0.137461D+01  0.272728D+01 -0.115082D+01 -0.374105D+01
      6  -0.150193D+01  0.161927D+01 -0.934693D+00  0.135336D+00  0.428833D+00
                16            17            18            19            20 
      1  -0.981622D+01  0.144409D+01  0.549816D+01 -0.449873D+01  0.958860D+00
      2   0.313808D+01 -0.150395D+01  0.752434D+01 -0.809438D+00 -0.611488D+01
      3   0.667814D+01  0.598522D-01 -0.130225D+02  0.530817D+01  0.515602D+01
      4   0.475282D+01 -0.316722D+01 -0.221362D+01 -0.425950D+01 -0.826435D+01
      5  -0.224431D+01 -0.204165D+01  0.321772D+02  0.283210D+01  0.130335D+01
      6   0.392323D+00  0.322563D+00  0.602783D+00  0.412582D+00  0.105442D+01
                21            22            23            24            25 
      1  -0.321288D+00 -0.563430D+01 -0.442641D+01 -0.164324D+01  0.227643D+01
      2  -0.199799D+01  0.364857D+00  0.320518D+01  0.320004D+00  0.660137D+00
      3   0.231928D+01  0.526944D+01  0.122124D+01  0.132324D+01 -0.293656D+01
      4   0.881410D+00 -0.943357D+01 -0.574621D+00  0.442617D+00  0.356954D+01
      5  -0.273273D+01  0.176266D+01  0.777689D+00  0.914625D-01  0.251550D+00
      6  -0.594878D+00  0.231654D+00  0.268413D+01 -0.421384D+00 -0.237406D+00
                26            27            28            29            30 
      1   0.289090D-01  0.599219D+01 -0.118738D+02  0.885840D+01 -0.411539D+01
      2   0.180317D+01  0.872522D+01  0.490314D+01 -0.639902D+01  0.954638D+00
      3  -0.183208D+01 -0.147174D+02  0.697069D+01 -0.245938D+01  0.316075D+01
      4   0.366878D+01  0.110497D+01  0.172718D+01 -0.774257D+01  0.315909D+01
      5   0.390180D+00 -0.112724D+02 -0.489894D+01  0.171468D+01 -0.837714D+01
      6   0.224770D+01 -0.134816D+02  0.406754D+01 -0.110704D+01  0.113648D+01
                31            32            33            34            35 
      1   0.643370D+01  0.338100D+01 -0.268538D+01 -0.274144D+01  0.466499D+00
      2  -0.421445D+01 -0.287576D+01 -0.103359D+00 -0.112707D+01  0.134819D+01
      3  -0.221925D+01 -0.505240D+00  0.278874D+01  0.386851D+01 -0.181469D+01
      4  -0.583988D+01 -0.134807D+02 -0.192782D+01  0.234123D+01 -0.221958D+01
      5   0.537756D+00 -0.134009D+01 -0.425822D+01 -0.270278D+01  0.287947D+00
      6  -0.732035D+00  0.161928D+01 -0.156138D+01  0.986453D+00 -0.519235D+00
                36            37            38            39            40 
      1   0.586549D+01  0.744357D+00 -0.212796D+01 -0.117393D+01  0.252520D+00
      2   0.603008D+01  0.127393D+01  0.174127D+01 -0.391822D+00  0.633506D+00
      3  -0.118956D+02 -0.201829D+01  0.386690D+00  0.156576D+01 -0.886026D+00
      4   0.544631D+00 -0.423313D+01  0.147320D+02 -0.199327D+01  0.125748D+02
      5   0.250398D+02  0.136521D+01 -0.155469D+00  0.169495D+02 -0.119393D+01
      6  -0.100982D+02 -0.224135D+01  0.171933D+01  0.179854D+01 -0.282627D+00
                41            42            43            44            45 
      1  -0.141700D+02  0.404333D+01  0.926965D+00  0.263992D+01 -0.675686D+01
      2   0.192305D+02 -0.132444D+01 -0.188556D+01 -0.331021D+01 -0.442148D+00
      3  -0.506051D+01 -0.271889D+01  0.958594D+00  0.670297D+00  0.719901D+01
      4   0.247275D+01 -0.183171D+00 -0.690208D+01 -0.392363D+00 -0.129522D+01
      5  -0.541881D+00  0.166607D+01  0.432534D+01 -0.185227D+00  0.170047D+01
      6  -0.373943D+01  0.480582D+01 -0.940321D+00  0.687821D+01  0.803917D+00
                46            47            48            49            50 
      1  -0.796593D+01  0.361615D+01  0.402061D+01 -0.572166D+01 -0.449970D+01
      2   0.383927D+01 -0.782110D+01 -0.129304D+01 -0.168406D+01 -0.246084D+01
      3   0.412666D+01  0.420495D+01 -0.272757D+01  0.740572D+01  0.696055D+01
      4   0.328844D+01 -0.182606D+02 -0.462070D+00 -0.168187D+02 -0.184751D+01
      5   0.107725D+01 -0.523133D+00 -0.908972D+01  0.157977D+01  0.139801D+01
      6   0.298523D+00 -0.182110D+01 -0.201894D+01  0.669612D+00  0.232724D+01
                51            52            53            54            55 
      1  -0.160995D+01  0.361416D+01 -0.499056D+00  0.909488D+01 -0.410909D+01
      2  -0.149644D-01  0.145775D+01  0.575431D+01  0.797932D+01 -0.240598D+01
      3   0.162492D+01 -0.507191D+01 -0.525525D+01 -0.170742D+02  0.651507D+01
      4   0.223543D+01  0.254741D+01  0.234839D+01  0.129714D+01  0.201564D+02
      5   0.496612D+01 -0.227122D+01 -0.425989D+00 -0.268006D+02 -0.222096D+01
      6  -0.649756D+00 -0.761018D-01 -0.100430D+01 -0.228439D+02  0.664414D+01
                56            57            58            59            60 
      1   0.374572D+00 -0.254870D+01  0.343273D+01 -0.303827D+02 -0.612323D+01
      2   0.460645D+01  0.677209D+00 -0.234167D+01  0.471072D+02  0.558628D+01
      3  -0.498103D+01  0.187149D+01 -0.109106D+01 -0.167245D+02  0.536942D+00
      4  -0.368187D+01  0.546684D+01  0.316173D+01 -0.140636D+02 -0.389021D+01
      5   0.105870D+01  0.353395D+01  0.130558D+01 -0.301951D+01 -0.121449D+01
      6  -0.161864D+01  0.199205D+01 -0.257385D+01  0.111928D+02  0.104400D+02
                61            62            63            64            65 
      1  -0.162299D+01 -0.891173D+01 -0.858068D+01 -0.170394D+00  0.567427D+00
      2  -0.212347D+01  0.147116D+02  0.480439D+01 -0.317007D+01 -0.800759D+00
      3   0.374645D+01 -0.579985D+01  0.377629D+01  0.334046D+01  0.233332D+00
      4   0.102144D+02 -0.960131D+01 -0.211244D+01  0.901114D+00  0.208233D+01
      5   0.349593D+01 -0.379714D+01 -0.228711D+01  0.137989D+01 -0.995068D+00
      6  -0.358856D+00  0.143456D+02  0.634689D+01 -0.328137D+01 -0.442907D+00
                66            67            68            69            70 
      1   0.174681D+01  0.695970D+00 -0.426379D+01  0.293181D+01  0.179393D+01
      2  -0.719799D+00 -0.908262D+00  0.270982D+01 -0.347598D+01 -0.588522D+00
      3  -0.102701D+01  0.212292D+00  0.155396D+01  0.544166D+00 -0.120541D+01
      4  -0.268347D+01  0.183544D+01 -0.138534D+01  0.140102D+01 -0.334844D+01
      5   0.600546D+01 -0.206585D+00  0.128219D+01  0.573781D-01  0.380878D+01
      6   0.950197D+00 -0.288353D-01 -0.407240D+01  0.625291D+01 -0.313396D+00
                71            72            73            74            75 
      1   0.495349D+01 -0.156824D+02  0.257826D+02 -0.203349D+02  0.530792D+01
      2  -0.440982D+01 -0.118772D+02 -0.139693D+02  0.104521D+02 -0.577875D+01
      3  -0.543669D+00  0.275596D+02 -0.118133D+02  0.988283D+01  0.470824D+00
      4   0.280750D+01 -0.595703D+00 -0.256744D+02  0.479037D+01 -0.848783D+00
      5  -0.125445D+01  0.104905D+02  0.985484D+01 -0.450376D+00  0.708144D+01
      6   0.637621D+01 -0.228550D+02 -0.251552D+01  0.652432D+00 -0.237368D+01
                76            77            78            79            80 
      1  -0.372395D+02 -0.598854D+01 -0.519673D+00  0.167575D+02  0.220407D+00
      2   0.207316D+02  0.757665D+01  0.103943D+01 -0.106825D+02 -0.546167D-02
      3   0.165078D+02 -0.158811D+01 -0.519758D+00 -0.607495D+01 -0.214945D+00
      4   0.572332D+01 -0.194450D+02  0.503830D+01 -0.314116D+01  0.651072D+01
      5  -0.309263D+01  0.538674D+01 -0.521258D+01  0.143646D+02 -0.424153D+01
      6   0.436632D+00 -0.197601D+01  0.509406D+01 -0.258010D+01  0.418820D+01
                81            82            83            84            85 
      1   0.417444D+01  0.264196D+01 -0.990583D+00 -0.450339D+01 -0.636874D+00
      2  -0.719309D+01 -0.429721D+01  0.507379D+00  0.303309D+01  0.228567D+00
      3   0.301865D+01  0.165526D+01  0.483205D+00  0.147031D+01  0.408307D+00
      4  -0.455354D+01 -0.946402D+00  0.944905D+00  0.190689D+00  0.130870D+01
      5   0.552984D+01 -0.507939D+01 -0.291477D+00  0.623315D+01 -0.535448D+00
      6  -0.116863D+01  0.242940D+00 -0.927995D-01  0.223263D+00 -0.109500D+01
                86            87            88            89            90 
      1  -0.368548D+01  0.234407D+00 -0.654101D+01  0.887069D-01 -0.131262D+02
      2   0.150745D+00  0.865451D+00  0.582935D+01  0.632916D+00 -0.154408D+02
      3   0.353474D+01 -0.109986D+01  0.711661D+00 -0.721623D+00  0.285671D+02
      4   0.167876D+01 -0.425818D+01  0.961993D-01 -0.478464D+01  0.109197D+01
      5  -0.446679D+01  0.225172D+01  0.752283D+01  0.141276D+01 -0.308204D+02
      6  -0.625884D-01  0.722981D+01 -0.120604D+00  0.429570D+01  0.131950D+01
                91            92            93            94            95 
      1  -0.232019D+00 -0.299546D+00  0.198440D+01 -0.409362D+00 -0.200601D+01
      2  -0.263297D+01  0.615621D+00 -0.646556D+00  0.638112D+00 -0.108853D+01
      3   0.286499D+01 -0.316075D+00 -0.133785D+01 -0.228750D+00  0.309454D+01
      4  -0.164647D+00  0.224784D+01  0.155602D+01  0.271173D+01 -0.811059D-01
      5   0.191446D+01  0.172845D+00  0.538645D+01 -0.123941D+00  0.137988D+01
      6   0.182302D+01 -0.772809D-01 -0.756281D+00  0.276985D+00  0.166465D+01
                96            97            98            99           100 
      1  -0.767745D+00  0.200082D+01 -0.197235D+01 -0.159711D+02  0.225975D+02
      2   0.231191D+01 -0.163723D+01  0.267414D+01 -0.148583D+02 -0.838322D+01
      3  -0.154416D+01 -0.363598D+00 -0.701788D+00  0.308293D+02 -0.142143D+02
      4   0.157965D+01  0.248541D+01  0.258130D+01  0.324806D+00  0.208454D+02
      5  -0.891220D+00  0.462657D+01  0.364132D+00  0.114047D+02 -0.402000D+01
      6   0.570340D+01  0.574020D+00  0.434576D+01  0.134687D+02 -0.296951D+01
               101           102           103           104           105 
      1  -0.424578D+01 -0.217283D+01 -0.100459D+01  0.149622D+02  0.380417D+01
      2   0.125480D+02  0.322230D+01  0.644177D+01 -0.148836D+02 -0.382493D+01
      3  -0.830225D+01 -0.104946D+01 -0.543718D+01 -0.785739D-01  0.207616D-01
      4   0.216192D+02 -0.219940D+01  0.175341D+02  0.678012D+00 -0.277665D+01
      5  -0.549676D+00  0.844650D+01 -0.687102D+00 -0.411995D+01  0.110470D+01
      6   0.119290D+00  0.298081D+01 -0.267867D-01 -0.571752D+01  0.474118D+01
               106           107           108           109           110 
      1  -0.484400D+01  0.505885D+01  0.487489D-03 -0.480600D+01 -0.114515D+02
      2   0.188874D+01 -0.861538D+01 -0.285589D+01  0.502967D+01  0.510443D+01
      3   0.295525D+01  0.355653D+01  0.285540D+01 -0.223665D+00  0.634710D+01
      4  -0.607106D+01 -0.756161D+01  0.453705D+01 -0.145379D+02  0.245752D+01
      5   0.835920D+01  0.288410D+01 -0.232375D+01  0.125348D+02 -0.224853D+01
      6   0.526327D+01  0.556349D+01 -0.306708D+01 -0.696092D+01  0.366205D+01
               111           112           113           114           115 
      1   0.453611D+01 -0.218844D+02  0.109185D+02  0.249246D+01  0.171526D+02
      2  -0.534696D+01  0.173714D+02 -0.290183D+02 -0.658733D+01 -0.678562D+01
      3   0.810850D+00  0.451298D+01  0.180998D+02  0.409487D+01 -0.103670D+02
      4  -0.514004D+01 -0.694962D+01  0.338446D+02  0.661590D+01 -0.221575D+01
      5   0.558001D+00  0.940163D+00  0.662190D+01 -0.329264D+01 -0.293880D+01
      6  -0.387492D+01  0.947166D+00 -0.411057D+01  0.166204D+00  0.680411D+00
               116           117           118           119           120 
      1   0.161118D+01  0.133228D+02  0.243858D+01 -0.154736D+01 -0.227751D+01
      2  -0.517616D+01  0.826527D+01 -0.392028D+01  0.871519D+00  0.160615D+01
      3   0.356498D+01 -0.215880D+02  0.148170D+01  0.675837D+00  0.671361D+00
      4   0.788542D+01  0.378035D+01 -0.222399D+01  0.237117D+01  0.106095D+01
      5   0.342464D+01 -0.393101D+02 -0.297384D+01 -0.847403D-01  0.767079D+01
      6  -0.172837D+01  0.173613D+02  0.118375D+01  0.975702D-01 -0.890667D+00
               121           122           123           124           125 
      1  -0.129606D+01 -0.375755D+01 -0.895610D+00 -0.409754D+01 -0.128950D+01
      2   0.421870D+00  0.886484D+00  0.142523D+01  0.529621D+01  0.711649D+00
      3   0.874187D+00  0.287106D+01 -0.529624D+00 -0.119866D+01  0.577849D+00
      4   0.253714D+01  0.397371D+00 -0.204828D+01  0.277112D+01 -0.237588D+01
      5  -0.615970D-01 -0.290259D+01  0.458983D+00  0.663806D+01 -0.117557D+01
      6  -0.515932D+00  0.171729D+01  0.662864D+01 -0.117246D+01  0.477674D+01
               126           127           128           129           130 
      1  -0.156470D+02  0.174178D+02  0.273329D+01  0.537395D+00  0.454061D+01
      2  -0.132758D+02 -0.314392D+00  0.865712D+01  0.366662D+00  0.719903D+01
      3   0.289228D+02 -0.171034D+02 -0.113904D+02 -0.904057D+00 -0.117396D+02
      4  -0.109502D+01  0.246087D+02  0.276045D+02 -0.704818D+00  0.263119D+02
      5  -0.200792D+02 -0.183736D+01 -0.966124D+00  0.774895D+01  0.132936D+00
      6   0.103614D+02 -0.354043D+00 -0.125754D+01  0.398859D+01  0.551897D+00
               131           132           133           134           135 
      1  -0.591063D+01 -0.890397D+00 -0.189914D+00 -0.361175D+01  0.556633D+01
      2   0.262623D+02  0.165047D+01  0.992986D+00  0.350856D+01 -0.215732D+01
      3  -0.203517D+02 -0.760072D+00 -0.803071D+00  0.103193D+00 -0.340901D+01
      4   0.296709D+02  0.124982D+01  0.373923D+01  0.550877D+01 -0.707618D+00
      5   0.107902D+01 -0.866812D+00  0.507795D+01 -0.189444D+01  0.191454D+02
      6   0.111309D+01  0.342611D+01  0.169854D+01  0.240767D+00  0.229192D+02
               136           137           138           139           140 
      1  -0.957779D-01  0.556667D+00  0.342837D+01 -0.417475D+00 -0.296081D+01
      2  -0.267151D+01  0.335094D-01 -0.158830D+01  0.110958D+01  0.981898D+00
      3   0.276729D+01 -0.590176D+00 -0.184006D+01 -0.692106D+00  0.197891D+01
      4   0.106646D+01  0.379889D+01  0.296054D+01  0.379238D+01  0.148426D+01
      5   0.380008D+01  0.745376D+00  0.702094D+01 -0.104237D+00  0.262673D+01
      6   0.342565D+01 -0.136837D+00  0.544251D+00  0.204040D+00  0.366094D+01
               141           142           143           144           145 
      1  -0.209023D+01  0.263003D+01 -0.411953D+01 -0.166394D+02  0.103299D+02
      2   0.315344D+01 -0.319272D+01  0.230587D+01 -0.131187D+02  0.519311D+01
      3  -0.106321D+01  0.562694D+00  0.181365D+01  0.297581D+02 -0.155230D+02
      4   0.218730D+01  0.523731D+01  0.500619D+01  0.278285D+01 -0.308201D+02
      5  -0.515649D+00  0.735936D+01  0.326610D+01  0.223608D+02  0.783358D-01
      6   0.663195D+01  0.268816D+01  0.754659D+01  0.227741D+02 -0.318207D+01
               146           147           148           149           150 
      1   0.182993D+00  0.182824D+01 -0.565814D+00 -0.180033D+01  0.348724D+00
      2  -0.121390D+02  0.250856D+00 -0.657989D+01  0.103131D+02 -0.153345D+01
      3   0.119560D+02 -0.207909D+01  0.714570D+01 -0.851272D+01  0.118473D+01
      4   0.217857D+02 -0.284609D+01  0.145008D+02 -0.123491D+02  0.155467D+01
      5   0.346357D+00  0.306231D+01  0.189501D+00  0.477553D+00 -0.165568D+01
      6   0.576451D+00 -0.515714D+01  0.978717D+00 -0.131754D+01  0.272257D+01
               151           152           153           154           155 
      1   0.158162D+01  0.117035D+01 -0.314561D+00  0.420461D+02  0.147563D+02
      2   0.130040D+01 -0.381867D+01  0.756868D+00 -0.228950D+02 -0.850495D+01
      3  -0.288202D+01  0.264831D+01 -0.442307D+00 -0.191512D+02 -0.625137D+01
      4  -0.654655D+01  0.460139D+01 -0.455868D+01  0.116816D+02  0.110003D+02
      5   0.376524D+01 -0.226378D+01  0.930487D+00  0.441504D+00  0.847068D-01
      6  -0.426516D+01  0.442611D+01 -0.113821D+01  0.110109D+01  0.938582D+00
               156           157           158           159           160 
      1  -0.960433D+00  0.281371D+02  0.117916D+02  0.354993D+00 -0.555306D+01
      2   0.176140D-01 -0.158679D+02 -0.518505D+01 -0.631961D+00  0.316418D+01
      3   0.942819D+00 -0.122692D+02 -0.660653D+01  0.276969D+00  0.238888D+01
      4  -0.220699D+00  0.125131D+02  0.136099D+02 -0.121237D+01 -0.102857D+01
      5   0.567837D+01  0.130695D+01 -0.129447D+01  0.409142D+01  0.708192D+01
      6   0.594254D-01  0.115927D+01  0.985292D+00  0.208927D+00  0.578934D+00
               161           162           163           164           165 
      1  -0.135545D+01  0.409117D+01 -0.156418D+01  0.543152D+01  0.768980D+00
      2   0.650143D+00 -0.374377D+01  0.274186D+01 -0.647988D+01 -0.746547D+00
      3   0.705308D+00 -0.347400D+00 -0.117767D+01  0.104836D+01 -0.224333D-01
      4  -0.213281D+01  0.179861D+01 -0.730829D+00  0.257520D+00  0.559278D+00
      5   0.220594D+01  0.978583D-01  0.528584D+00 -0.242536D+00 -0.232565D+00
      6   0.125147D+01 -0.378693D+00  0.110062D+01 -0.418177D+00 -0.194777D+00
               166           167           168           169           170 
      1   0.433184D+01 -0.239813D+02 -0.174230D+01  0.115225D+01 -0.418157D+01
      2  -0.104115D+01  0.399384D+02  0.295091D+01 -0.722619D+00  0.593516D+01
      3  -0.329069D+01 -0.159571D+02 -0.120861D+01 -0.429633D+00 -0.175360D+01
      4   0.616850D+01  0.215071D+02  0.137076D+01  0.117925D+01  0.360906D+01
      5  -0.208807D+00  0.235297D+01  0.290395D+01  0.120324D+01  0.242041D+01
      6  -0.228722D+00  0.313970D+01  0.482912D+01  0.606527D+00  0.615283D+01
               171           172           173           174           175 
      1  -0.349902D+01  0.715898D+02  0.314985D+01 -0.716456D+01  0.226376D+01
      2   0.317679D+01 -0.413552D+02 -0.859461D+00  0.761954D+01 -0.293897D+01
      3   0.322229D+00 -0.302345D+02 -0.229039D+01 -0.454977D+00  0.675216D+00
      4   0.228032D+01 -0.335568D+01  0.125788D+02  0.213309D+01  0.199844D+02
      5   0.286552D+00 -0.129657D+02  0.612647D+00  0.121286D+02  0.268462D+00
      6   0.128651D+01  0.329640D+01 -0.160685D+01  0.143242D+01 -0.123740D+01
               176           177           178           179           180 
      1   0.113530D+02  0.198031D+01 -0.184857D+02 -0.555830D+00  0.863766D+01
      2  -0.141575D+01  0.108819D+01  0.116282D+02 -0.187421D+00 -0.117740D+02
      3  -0.993722D+01 -0.306851D+01  0.685755D+01  0.743251D+00  0.313633D+01
      4  -0.263681D+02 -0.438081D+01  0.776371D+00 -0.484231D+01 -0.136691D+01
      5  -0.466906D+01 -0.363727D+01  0.200857D+02  0.694546D+00 -0.744090D+01
      6   0.151334D+01  0.673672D+01 -0.242161D+01  0.348217D+01 -0.305370D+00
               181           182           183           184           185 
      1   0.253477D+01 -0.648587D+01 -0.286948D+01 -0.563034D+01 -0.179311D+02
      2   0.356740D+01  0.122478D+01  0.955940D+00 -0.442500D+01  0.435111D+02
      3  -0.610216D+01  0.526109D+01  0.191354D+01  0.100553D+02 -0.255800D+02
      4  -0.891288D+01  0.108295D+02  0.162383D+01  0.189148D+02 -0.485823D+02
      5  -0.261713D+01  0.455568D+00  0.250850D+01  0.360449D+00 -0.359419D+01
      6   0.168997D+01 -0.409943D+00 -0.908290D+00  0.451533D-01  0.199342D+01
               186           187           188           189           190 
      1  -0.177787D+01 -0.477020D+01 -0.271877D+01 -0.353102D+01  0.788483D+00
      2   0.416048D+01  0.101593D+01  0.637210D+01  0.296458D+01 -0.409867D+01
      3  -0.238261D+01  0.375427D+01 -0.365333D+01  0.566447D+00  0.331018D+01
      4  -0.392968D+01  0.449728D+01 -0.822484D+01 -0.659787D+01  0.700647D+00
      5  -0.548294D+01  0.373727D+01 -0.664795D+01  0.832246D+00  0.693620D+01
      6   0.634836D+01 -0.210053D+01  0.767377D+01  0.166446D+01 -0.216164D+01
               191           192           193           194           195 
      1   0.127783D+01  0.767754D+01  0.480137D+01 -0.417652D+01  0.112622D+01
      2  -0.110311D+01 -0.407636D+01 -0.372110D+01  0.328126D+01 -0.263625D+01
      3  -0.174710D+00 -0.360117D+01 -0.108027D+01  0.895264D+00  0.151004D+01
      4   0.147375D+01 -0.223148D+01  0.156174D+01 -0.451397D+01  0.453670D+01
      5  -0.594070D+00  0.598328D+01  0.262176D+00  0.493457D+01  0.224521D+01
      6  -0.472018D+00  0.406893D+00  0.570599D+00 -0.173463D+01  0.446676D+01
               196           197           198           199           200 
      1   0.914479D+01  0.303375D+01 -0.180520D+02  0.141071D+01  0.236331D+01
      2  -0.740773D+01 -0.170031D+01 -0.143677D+02 -0.130852D+01 -0.154046D+01
      3  -0.173705D+01 -0.133345D+01  0.324197D+02 -0.102191D+00 -0.822848D+00
      4  -0.431575D+01  0.618596D+01 -0.568025D+01  0.197837D+01  0.136742D+01
      5   0.104853D+02 -0.563563D+01  0.458678D+02 -0.195557D+01 -0.570940D+00
      6  -0.271734D+01  0.760458D+01 -0.203137D+02 -0.219975D+01  0.833453D+00
               201           202           203           204           205 
      1  -0.334166D+01  0.581470D+00 -0.472805D+01  0.250757D+01 -0.382061D+01
      2   0.158288D+01  0.609068D+00  0.675459D+01 -0.430429D+01  0.103392D+01
      3   0.175877D+01 -0.119054D+01 -0.202654D+01  0.179672D+01  0.278669D+01
      4  -0.201051D+01  0.250077D+01  0.446243D+01 -0.344497D+01 -0.827781D+01
      5   0.550967D+00 -0.963057D+00 -0.313033D+01  0.415103D+01  0.567480D+01
      6  -0.192024D+01 -0.125309D+01 -0.544811D+01  0.700283D+01  0.454121D+01
               206           207           208           209           210 
      1   0.631046D+01 -0.100136D+02  0.209384D+00  0.628721D+01  0.126978D+01
      2  -0.758599D+01  0.186514D+01  0.107165D+01 -0.256132D+01 -0.598167D+00
      3   0.127552D+01  0.814844D+01 -0.128103D+01 -0.372589D+01 -0.671612D+00
      4  -0.102966D+02  0.896376D+01  0.656821D+01 -0.689944D+00 -0.256505D+00
      5   0.913534D+01 -0.223577D+02  0.119161D+01 -0.544098D+00  0.715086D+00
      6   0.133110D+02 -0.271260D+02 -0.299542D-01 -0.900959D-01  0.122371D+01
               211           212           213           214           215 
      1   0.205340D+02 -0.114600D+01 -0.175727D+01  0.227004D+01 -0.448724D+00
      2  -0.118775D+02  0.124273D+01  0.155700D+01 -0.124838D+01  0.391766D+00
      3  -0.865644D+01 -0.967296D-01  0.200270D+00 -0.102166D+01  0.569581D-01
      4  -0.921440D+00  0.326514D+02 -0.302321D+00 -0.393205D+00  0.143927D+01
      5  -0.214065D+01  0.128790D+00  0.693624D+01  0.364422D+01  0.259568D+01
      6   0.467696D+00 -0.101993D+01 -0.106430D+01  0.343553D+00  0.198781D+01
               216 
      1   0.896087D+00
      2  -0.189041D+01
      3   0.994327D+00
      4   0.208806D+01
      5  -0.167580D+01
      6   0.602040D-01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:03:44 2021, MaxMem=  5368709120 cpu:           33702.1 elap:            4223.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.50854 -19.50710 -19.50321 -19.50213 -19.50054
 Alpha  occ. eigenvalues --  -19.46629 -10.55940 -10.50974 -10.50928 -10.50872
 Alpha  occ. eigenvalues --  -10.50645 -10.48546  -1.24648  -1.20685  -1.19451
 Alpha  occ. eigenvalues --   -1.17280  -1.16975  -1.15459  -0.94666  -0.92516
 Alpha  occ. eigenvalues --   -0.83292  -0.80254  -0.77097  -0.74504  -0.69802
 Alpha  occ. eigenvalues --   -0.68571  -0.66130  -0.64619  -0.63376  -0.62475
 Alpha  occ. eigenvalues --   -0.60767  -0.58040  -0.57799  -0.55695  -0.54262
 Alpha  occ. eigenvalues --   -0.52654  -0.51721  -0.51103  -0.50273  -0.49010
 Alpha  occ. eigenvalues --   -0.47446  -0.45682  -0.43893  -0.42362  -0.41736
 Alpha  occ. eigenvalues --   -0.41000  -0.39319  -0.38273
 Alpha virt. eigenvalues --   -0.01568  -0.00777  -0.00367   0.00070   0.01407
 Alpha virt. eigenvalues --    0.01556   0.01812   0.02198   0.02404   0.03930
 Alpha virt. eigenvalues --    0.04536   0.05034   0.06636   0.07448   0.07850
 Alpha virt. eigenvalues --    0.08442   0.09632   0.09865   0.10504   0.11026
 Alpha virt. eigenvalues --    0.11091   0.11549   0.11747   0.12218   0.12557
 Alpha virt. eigenvalues --    0.12806   0.13636   0.14200   0.14487   0.15219
 Alpha virt. eigenvalues --    0.15566   0.15796   0.16239   0.17287   0.17449
 Alpha virt. eigenvalues --    0.18538   0.19192   0.19483   0.20544   0.21183
 Alpha virt. eigenvalues --    0.21883   0.22250   0.22718   0.23464   0.23945
 Alpha virt. eigenvalues --    0.24601   0.25112   0.25191   0.25709   0.26430
 Alpha virt. eigenvalues --    0.26585   0.26847   0.27995   0.28412   0.29008
 Alpha virt. eigenvalues --    0.29297   0.29476   0.29947   0.30258   0.30816
 Alpha virt. eigenvalues --    0.31464   0.31706   0.31944   0.32490   0.33234
 Alpha virt. eigenvalues --    0.33879   0.34553   0.34918   0.35378   0.36365
 Alpha virt. eigenvalues --    0.36670   0.37057   0.37363   0.38081   0.38769
 Alpha virt. eigenvalues --    0.39583   0.40292   0.40798   0.40998   0.41877
 Alpha virt. eigenvalues --    0.42741   0.43147   0.43385   0.43856   0.44090
 Alpha virt. eigenvalues --    0.45712   0.46375   0.46386   0.46679   0.47196
 Alpha virt. eigenvalues --    0.48152   0.48598   0.48764   0.50098   0.50252
 Alpha virt. eigenvalues --    0.52009   0.52607   0.52999   0.53992   0.55183
 Alpha virt. eigenvalues --    0.55410   0.56142   0.57168   0.57271   0.57432
 Alpha virt. eigenvalues --    0.58057   0.58586   0.59995   0.60704   0.61635
 Alpha virt. eigenvalues --    0.62491   0.62959   0.63551   0.63935   0.65233
 Alpha virt. eigenvalues --    0.65531   0.66753   0.66967   0.68006   0.68558
 Alpha virt. eigenvalues --    0.68819   0.69383   0.70570   0.71669   0.72658
 Alpha virt. eigenvalues --    0.73452   0.73602   0.74160   0.75350   0.75407
 Alpha virt. eigenvalues --    0.76328   0.77269   0.77677   0.78282   0.78680
 Alpha virt. eigenvalues --    0.80650   0.80906   0.81204   0.82554   0.83180
 Alpha virt. eigenvalues --    0.84399   0.84580   0.85216   0.85653   0.86649
 Alpha virt. eigenvalues --    0.87547   0.88916   0.91049   0.91328   0.91896
 Alpha virt. eigenvalues --    0.92290   0.94823   0.95282   0.95990   0.97338
 Alpha virt. eigenvalues --    0.97725   0.98888   1.00503   1.01142   1.02284
 Alpha virt. eigenvalues --    1.03240   1.05299   1.06588   1.08460   1.09947
 Alpha virt. eigenvalues --    1.10399   1.10921   1.11438   1.13502   1.14252
 Alpha virt. eigenvalues --    1.14719   1.16278   1.16841   1.17356   1.19307
 Alpha virt. eigenvalues --    1.19384   1.20250   1.20722   1.22588   1.24101
 Alpha virt. eigenvalues --    1.25626   1.26512   1.27235   1.27720   1.29057
 Alpha virt. eigenvalues --    1.29769   1.30872   1.33871   1.35530   1.35742
 Alpha virt. eigenvalues --    1.37703   1.39448   1.40547   1.42044   1.45091
 Alpha virt. eigenvalues --    1.46225   1.48056   1.48553   1.49575   1.50617
 Alpha virt. eigenvalues --    1.52836   1.54266   1.54835   1.56412   1.57534
 Alpha virt. eigenvalues --    1.59306   1.61215   1.62716   1.63367   1.64539
 Alpha virt. eigenvalues --    1.65646   1.66976   1.68993   1.69859   1.70701
 Alpha virt. eigenvalues --    1.71818   1.73306   1.73908   1.76679   1.77404
 Alpha virt. eigenvalues --    1.80379   1.81407   1.81869   1.83853   1.84570
 Alpha virt. eigenvalues --    1.86205   1.87511   1.89408   1.90834   1.92320
 Alpha virt. eigenvalues --    1.92822   1.93994   1.96220   1.96361   1.97896
 Alpha virt. eigenvalues --    1.98551   2.00231   2.01217   2.03026   2.04724
 Alpha virt. eigenvalues --    2.05015   2.05189   2.07701   2.08443   2.09521
 Alpha virt. eigenvalues --    2.11175   2.11835   2.13158   2.14741   2.15605
 Alpha virt. eigenvalues --    2.16933   2.19041   2.19371   2.23442   2.24999
 Alpha virt. eigenvalues --    2.25546   2.25970   2.27696   2.29291   2.30591
 Alpha virt. eigenvalues --    2.31756   2.32069   2.34170   2.35134   2.37286
 Alpha virt. eigenvalues --    2.38339   2.39625   2.40938   2.44593   2.44795
 Alpha virt. eigenvalues --    2.46901   2.48807   2.50869   2.52784   2.53111
 Alpha virt. eigenvalues --    2.56897   2.58526   2.59701   2.60737   2.62089
 Alpha virt. eigenvalues --    2.64930   2.66539   2.67153   2.69729   2.72457
 Alpha virt. eigenvalues --    2.72905   2.75536   2.75753   2.78146   2.79827
 Alpha virt. eigenvalues --    2.82552   2.85866   2.88263   2.91253   2.92996
 Alpha virt. eigenvalues --    3.01870   3.07220   3.11082   3.14173   3.19432
 Alpha virt. eigenvalues --    3.23428   3.27134   3.36917   3.46407   3.47415
 Alpha virt. eigenvalues --    3.49194   3.50704   3.51593   3.52275   3.53458
 Alpha virt. eigenvalues --    3.54378   3.55171   3.55747   3.56343   3.57173
 Alpha virt. eigenvalues --    3.57778   3.59337   3.59592   3.60290   3.62105
 Alpha virt. eigenvalues --    3.64250   3.65704   3.69528   3.73221   3.75425
 Alpha virt. eigenvalues --    3.78459   3.83266   3.88472   3.89383   3.97996
 Alpha virt. eigenvalues --    4.03203   4.05494   4.08276   4.10749   4.15407
 Alpha virt. eigenvalues --    4.32982
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    9.881893  -1.385910  -1.348719  -0.197569  -0.059296   0.106546
     2  C   -1.385910   9.196145  -1.360856   0.484484   0.128061  -1.203984
     3  C   -1.348719  -1.360856  10.992316  -3.357484   0.262737   0.491460
     4  C   -0.197569   0.484484  -3.357484  11.145632  -0.547681  -0.983901
     5  O   -0.059296   0.128061   0.262737  -0.547681   8.436543   0.244046
     6  C    0.106546  -1.203984   0.491460  -0.983901   0.244046   6.675391
     7  O   -0.096288   0.149922  -0.017986   0.112342  -0.000585  -0.029279
     8  H   -1.233057   0.487099  -0.152036   0.150308  -0.004887  -0.254857
     9  O    0.005287  -0.151761   0.156730  -0.027890  -0.006861   0.115013
    10  H   -0.416405  -0.864449   0.195224  -0.112887  -0.015292   0.320102
    11  H    0.111016   0.007434  -1.088610   0.132227  -0.028609  -0.042732
    12  O    0.164654   0.015687  -0.201049   0.088520   0.007959   0.027450
    13  C   -0.475231   0.139424  -0.044875  -0.353931   0.070369  -0.112582
    14  H   -0.006708   0.183582   0.664684  -1.870166   0.106253   0.086010
    15  O   -0.020651  -0.030809  -0.020095   0.014052  -0.042289   0.402493
    16  H    0.009023  -0.284401   0.172341   0.054167  -0.037835  -0.322902
    17  H    0.168186  -0.137537   0.003723  -0.013082  -0.001868   0.019100
    18  H    0.004855   0.129196  -0.033068   0.019455   0.001058  -0.119706
    19  H   -0.075783  -0.009668   0.129802  -0.046641   0.000662  -0.005954
    20  O    0.014354   0.006767  -0.058152  -0.067019   0.035302  -0.005329
    21  H   -0.005974  -0.035557   0.013074   0.619477  -0.122433   0.002554
    22  H    0.040581   0.032766  -0.060824  -0.132881  -0.021617  -0.005466
    23  H    0.042534  -0.115987   0.010312   0.014378  -0.028766  -0.039972
    24  H   -0.012003   0.002486   0.030626  -0.026199  -0.008158   0.001412
               7          8          9         10         11         12
     1  C   -0.096288  -1.233057   0.005287  -0.416405   0.111016   0.164654
     2  C    0.149922   0.487099  -0.151761  -0.864449   0.007434   0.015687
     3  C   -0.017986  -0.152036   0.156730   0.195224  -1.088610  -0.201049
     4  C    0.112342   0.150308  -0.027890  -0.112887   0.132227   0.088520
     5  O   -0.000585  -0.004887  -0.006861  -0.015292  -0.028609   0.007959
     6  C   -0.029279  -0.254857   0.115013   0.320102  -0.042732   0.027450
     7  O    8.037512   0.002143   0.000169   0.028217  -0.059297  -0.013549
     8  H    0.002143   2.259040  -0.072669   0.109353   0.108944   0.000678
     9  O    0.000169  -0.072669   8.043907  -0.007012  -0.009288  -0.003994
    10  H    0.028217   0.109353  -0.007012   2.090271   0.058762   0.000604
    11  H   -0.059297   0.108944  -0.009288   0.058762   2.334102  -0.009121
    12  O   -0.013549   0.000678  -0.003994   0.000604  -0.009121   8.040991
    13  C    0.003577   0.095493  -0.003529   0.054986  -0.093856  -0.017130
    14  H   -0.020706   0.011500  -0.018882   0.000264   0.123238  -0.039076
    15  O   -0.000018   0.001080   0.005102  -0.016826  -0.000357   0.000058
    16  H   -0.000205   0.010793   0.034343   0.113863   0.000083  -0.006447
    17  H    0.288978  -0.088437   0.006311  -0.019740   0.008020   0.006181
    18  H    0.002817   0.012933   0.294970  -0.060310  -0.002634   0.000416
    19  H    0.008489  -0.000920   0.000665   0.000992  -0.046227   0.291134
    20  O    0.000498  -0.002492  -0.000052   0.001063  -0.009256   0.005955
    21  H    0.000927   0.004674   0.001012  -0.001779   0.015784  -0.008075
    22  H   -0.002421   0.003264  -0.001527   0.003901  -0.017609   0.014543
    23  H   -0.001347  -0.000946   0.009377   0.010053  -0.001389  -0.000338
    24  H    0.000081   0.002179  -0.000054   0.000004   0.006849   0.019651
              13         14         15         16         17         18
     1  C   -0.475231  -0.006708  -0.020651   0.009023   0.168186   0.004855
     2  C    0.139424   0.183582  -0.030809  -0.284401  -0.137537   0.129196
     3  C   -0.044875   0.664684  -0.020095   0.172341   0.003723  -0.033068
     4  C   -0.353931  -1.870166   0.014052   0.054167  -0.013082   0.019455
     5  O    0.070369   0.106253  -0.042289  -0.037835  -0.001868   0.001058
     6  C   -0.112582   0.086010   0.402493  -0.322902   0.019100  -0.119706
     7  O    0.003577  -0.020706  -0.000018  -0.000205   0.288978   0.002817
     8  H    0.095493   0.011500   0.001080   0.010793  -0.088437   0.012933
     9  O   -0.003529  -0.018882   0.005102   0.034343   0.006311   0.294970
    10  H    0.054986   0.000264  -0.016826   0.113863  -0.019740  -0.060310
    11  H   -0.093856   0.123238  -0.000357   0.000083   0.008020  -0.002634
    12  O   -0.017130  -0.039076   0.000058  -0.006447   0.006181   0.000416
    13  C    5.918723  -0.326177   0.002399   0.035252  -0.005801   0.000969
    14  H   -0.326177   2.874520  -0.009304  -0.080850  -0.000495   0.003294
    15  O    0.002399  -0.009304   7.859702  -0.161695  -0.000202   0.013430
    16  H    0.035252  -0.080850  -0.161695   1.820363  -0.001635  -0.018971
    17  H   -0.005801  -0.000495  -0.000202  -0.001635   0.612156  -0.001378
    18  H    0.000969   0.003294   0.013430  -0.018971  -0.001378   0.610589
    19  H    0.010535   0.005367  -0.000196  -0.000214  -0.001494  -0.000176
    20  O    0.294527  -0.004928   0.000272   0.000523   0.000118   0.000002
    21  H   -0.163141  -0.160827   0.000157   0.002613  -0.000175  -0.000263
    22  H    0.202085   0.127164  -0.002194   0.000962   0.000243   0.000480
    23  H   -0.002053  -0.002212   0.328513   0.040815   0.000084  -0.000416
    24  H   -0.083666   0.028806   0.000042  -0.001506  -0.000029  -0.000025
              19         20         21         22         23         24
     1  C   -0.075783   0.014354  -0.005974   0.040581   0.042534  -0.012003
     2  C   -0.009668   0.006767  -0.035557   0.032766  -0.115987   0.002486
     3  C    0.129802  -0.058152   0.013074  -0.060824   0.010312   0.030626
     4  C   -0.046641  -0.067019   0.619477  -0.132881   0.014378  -0.026199
     5  O    0.000662   0.035302  -0.122433  -0.021617  -0.028766  -0.008158
     6  C   -0.005954  -0.005329   0.002554  -0.005466  -0.039972   0.001412
     7  O    0.008489   0.000498   0.000927  -0.002421  -0.001347   0.000081
     8  H   -0.000920  -0.002492   0.004674   0.003264  -0.000946   0.002179
     9  O    0.000665  -0.000052   0.001012  -0.001527   0.009377  -0.000054
    10  H    0.000992   0.001063  -0.001779   0.003901   0.010053   0.000004
    11  H   -0.046227  -0.009256   0.015784  -0.017609  -0.001389   0.006849
    12  O    0.291134   0.005955  -0.008075   0.014543  -0.000338   0.019651
    13  C    0.010535   0.294527  -0.163141   0.202085  -0.002053  -0.083666
    14  H    0.005367  -0.004928  -0.160827   0.127164  -0.002212   0.028806
    15  O   -0.000196   0.000272   0.000157  -0.002194   0.328513   0.000042
    16  H   -0.000214   0.000523   0.002613   0.000962   0.040815  -0.001506
    17  H   -0.001494   0.000118  -0.000175   0.000243   0.000084  -0.000029
    18  H   -0.000176   0.000002  -0.000263   0.000480  -0.000416  -0.000025
    19  H    0.587241  -0.002268   0.000913  -0.001080   0.000250  -0.000429
    20  O   -0.002268   7.934665  -0.148041   0.000896  -0.000274   0.309498
    21  H    0.000913  -0.148041   1.642268  -0.456783   0.001756   0.025248
    22  H   -0.001080   0.000896  -0.456783   1.574793   0.000182  -0.040692
    23  H    0.000250  -0.000274   0.001756   0.000182   0.608630  -0.000032
    24  H   -0.000429   0.309498   0.025248  -0.040692  -0.000032   0.639513
 Mulliken charges:
               1
     1  C    0.784666
     2  C    0.617865
     3  C    0.620725
     4  C    0.902288
     5  O   -0.366813
     6  C    0.635087
     7  O   -0.393988
     8  H   -0.449179
     9  O   -0.369367
    10  H   -0.472959
    11  H   -0.497473
    12  O   -0.385700
    13  C    0.853634
    14  H   -0.674347
    15  O   -0.322663
    16  H   -0.378479
    17  H    0.158774
    18  H    0.142484
    19  H    0.155000
    20  O   -0.306629
    21  H   -0.227408
    22  H   -0.258765
    23  H    0.126849
    24  H    0.106400
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.335487
     2  C    0.144906
     3  C    0.123252
     4  C    0.227940
     5  O   -0.366813
     6  C    0.256608
     7  O   -0.235215
     9  O   -0.226883
    12  O   -0.230700
    13  C    0.367461
    15  O   -0.195814
    20  O   -0.200229
 Electronic spatial extent (au):  <R**2>=           2205.7792
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.9501    Y=              0.9305    Z=              1.3842  Tot=              3.3890
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -80.9885   YY=            -72.7138   ZZ=            -69.6615
   XY=              2.5371   XZ=             -0.0147   YZ=             -3.0636
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.5339   YY=              1.7408   ZZ=              4.7931
   XY=              2.5371   XZ=             -0.0147   YZ=             -3.0636
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -70.7101  YYY=             23.5084  ZZZ=              2.3499  XYY=              5.8914
  XXY=             12.6508  XXZ=             19.6314  XZZ=             -5.9131  YZZ=             -7.2745
  YYZ=              3.3133  XYZ=              6.6127
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1775.7925 YYYY=           -871.1243 ZZZZ=           -142.9230 XXXY=             71.9656
 XXXZ=              5.3062 YYYX=            -19.3720 YYYZ=            -31.3542 ZZZX=             -4.4726
 ZZZY=             -6.1414 XXYY=           -397.9396 XXZZ=           -297.7480 YYZZ=           -168.7152
 XXYZ=            -16.8679 YYXZ=            -12.2451 ZZXY=             17.2693
 N-N= 8.278206295350D+02 E-N=-3.266396352569D+03  KE= 6.823359040780D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:03:44 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.13522586D+00 3.98649781D-01 5.37424069D-01
 Polarizability= 1.05978568D+02 1.14144168D+00 9.45385685D+01
                -2.54044739D-01-1.48328991D+00 7.80443162D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.1218    0.1267        0.4417    0.4461
 2     -0.1218   -0.1267        0.7930    0.7958       -5.6651   -5.6662
 3     -0.4417   -0.4461       13.6179   13.6388       -0.7979   -0.7958
 4     -0.7930   -0.7958       -0.0000    0.0000       -0.4406   -0.4461
 5     -7.9529   -7.9726        0.4406    0.4461        0.1262    0.1267
 6      0.7979    0.7958       -0.1262   -0.1267        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.3801   -0.3801        1.3384    1.3384
 2     -2.3873   -2.3873        0.0000    0.0000        1.3384    1.3384
 3     -2.3873   -2.3873       -0.3801   -0.3801        0.0000    0.0000
 4     -0.3801   -0.3801        2.3873    2.3873      -16.9986  -16.9986
 5     -1.3384   -1.3384       40.9164   40.9164       -2.3873   -2.3873
 6    -23.9178  -23.9178        1.3384    1.3384        0.3801    0.3801
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1829    0.0000       -0.5143   -0.5068       -2.0737   -1.7845
 2      0.2003    0.5068       -3.1130   -3.1831       22.8020   22.6648
 3      1.5917    1.7845      -55.1115  -54.5552        3.2462    3.1831
 4      3.0688    3.1831        0.1521    0.0000        1.8551    1.7845
 5     32.3295   31.8904       -1.8258   -1.7845       -0.4901   -0.5068
 6     -3.2364   -3.1831        0.4658    0.5068        0.0844    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0133    0.0000        0.7899    0.4532        7.6861    7.9641
 2     -0.7419   -0.4532       -5.7580   -5.8235       -2.2804   -2.5876
 3     -7.8815   -7.9641        4.9938    5.6748        5.3374    5.8235
 4      5.8951    5.8235        0.0227    0.0000       -7.9140   -7.9641
 5     -3.3209   -3.0872        7.8172    7.9641        1.3834    0.4532
 6     -6.0099   -5.8235       -0.7866   -0.4532        0.1992    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.3027  -18.1322        8.4210    8.7753      -20.9403  -21.2382
 2    -15.7524  -15.8494       12.0462   11.7987      -21.3166  -21.2382
 3    -15.8061  -15.8494        8.7296    8.7753      -28.1048  -28.2820
 4     -3.2631   -3.0234       -2.2548   -2.2828       -1.3209   -1.2483
 5     -6.9545   -7.0438        7.5534    7.9202        1.2203    2.2828
 6     -7.1512   -6.6718        6.6860    7.0438        3.9110    3.0234
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.6732   -2.7070    0.0003    0.0006    0.0010    6.4737
 Low frequencies ---   67.8553  106.8782  118.5166
 Diagonal vibrational polarizability:
       65.1609274      43.8493010      55.7031364
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     67.8544               106.8782               118.5160
 Red. masses --      7.1080                 4.8062                 5.5030
 Frc consts  --      0.0193                 0.0323                 0.0455
 IR Inten    --      0.6705                 1.1044                 3.0340
 RamAct Fr= 1--      0.0294                 0.0313                 0.0124
  Dep-P Fr= 1--      0.7460                 0.7427                 0.4424
  Dep-U Fr= 1--      0.8545                 0.8524                 0.6134
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0042                 0.0045                 0.0013
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0002
 Gamma2 Fr= 1--      0.0009                 0.0740                -0.0161
 Delta2 Fr= 1--      0.0151                 0.0399                -0.0183
 Raman1 Fr= 1--       0.118                  0.125                  0.050
 ROA1   Fr= 1--       0.575                  8.379                 -2.129
 CID1   Fr= 1--       4.895                 66.851                -42.846
 Raman2 Fr= 1--       0.050                  0.053                  0.015
 ROA2   Fr= 1--      -0.098                  1.456                 -0.240
 CID2   Fr= 1--      -1.961                 27.259                -15.720
 Raman3 Fr= 1--       0.100                  0.107                  0.030
 ROA3   Fr= 1--       0.575                  8.379                 -2.129
 CID3   Fr= 1--       5.728                 78.430                -69.844
 RC180  Fr= 1--       0.709                  0.705                  0.227
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.02     0.03  -0.03  -0.08     0.01   0.02   0.05
     2   6     0.03  -0.01   0.09     0.02   0.01  -0.00    -0.03   0.01  -0.08
     3   6     0.03   0.01  -0.14    -0.02  -0.06   0.02     0.03  -0.03  -0.07
     4   6     0.02  -0.02  -0.09    -0.00  -0.00  -0.11    -0.02  -0.03  -0.09
     5   8    -0.00  -0.02  -0.15     0.01  -0.05  -0.17    -0.01  -0.00  -0.01
     6   6    -0.02   0.03  -0.07    -0.05  -0.02   0.00    -0.03  -0.04   0.04
     7   8     0.03  -0.00  -0.00     0.04   0.02  -0.21     0.05  -0.06   0.27
     8   1    -0.13  -0.02  -0.02     0.07  -0.13  -0.09    -0.03   0.18   0.06
     9   8    -0.06   0.02   0.31    -0.01   0.02   0.08     0.05   0.02  -0.26
    10   1     0.20  -0.09   0.10     0.09   0.04   0.00    -0.17   0.05  -0.08
    11   1     0.13   0.09  -0.14    -0.13  -0.19   0.02     0.12  -0.03  -0.07
    12   8    -0.02  -0.01  -0.30     0.02   0.01   0.25    -0.02  -0.01  -0.15
    13   6    -0.05  -0.03   0.08    -0.01  -0.06  -0.15    -0.02  -0.06  -0.12
    14   1     0.11  -0.03  -0.08    -0.01   0.10  -0.11    -0.08  -0.03  -0.09
    15   8    -0.00  -0.00  -0.13    -0.01   0.02   0.19    -0.01   0.01   0.21
    16   1    -0.07   0.14  -0.07    -0.22  -0.07   0.00    -0.10  -0.15   0.04
    17   1    -0.01  -0.03   0.12     0.02  -0.02  -0.20     0.10   0.07   0.22
    18   1    -0.01  -0.02   0.30    -0.03   0.07   0.18    -0.03   0.10  -0.19
    19   1     0.01  -0.00  -0.27    -0.09  -0.01   0.21     0.03  -0.02  -0.05
    20   8     0.06   0.05   0.36     0.01   0.13   0.10    -0.00   0.14   0.15
    21   1     0.02  -0.01  -0.01     0.06  -0.00  -0.39     0.07  -0.00  -0.36
    22   1    -0.26  -0.14   0.09    -0.11  -0.33  -0.12    -0.14  -0.33  -0.09
    23   1     0.08  -0.13  -0.16     0.16   0.04   0.17     0.01   0.17   0.23
    24   1    -0.04   0.04   0.28    -0.06   0.11   0.27    -0.14   0.12   0.20
                      4                      5                      6
                      A                      A                      A
 Frequencies --    164.5387               209.8577               231.1682
 Red. masses --      4.6463                 3.1841                 3.0105
 Frc consts  --      0.0741                 0.0826                 0.0948
 IR Inten    --      6.7103                 3.2488                14.5537
 RamAct Fr= 1--      0.0883                 0.1594                 0.1931
  Dep-P Fr= 1--      0.3600                 0.6254                 0.7370
  Dep-U Fr= 1--      0.5295                 0.7695                 0.8486
 Alpha2 Fr= 1--      0.0008                 0.0004                 0.0000
 Beta2  Fr= 1--      0.0078                 0.0204                 0.0273
 AlphaG Fr= 1--     -0.0005                -0.0022                 0.0008
 Gamma2 Fr= 1--     -0.0081                -0.0280                 0.0249
 Delta2 Fr= 1--     -0.0406                 0.0254                 0.0317
 Raman1 Fr= 1--       0.353                  0.638                  0.772
 ROA1   Fr= 1--      -2.072                 -1.877                  3.402
 CID1   Fr= 1--      -5.863                 -2.944                  4.406
 Raman2 Fr= 1--       0.094                  0.245                  0.328
 ROA2   Fr= 1--       0.131                 -0.876                  0.343
 CID2   Fr= 1--       1.403                 -3.570                  1.048
 Raman3 Fr= 1--       0.187                  0.491                  0.655
 ROA3   Fr= 1--      -2.072                 -1.877                  3.402
 CID3   Fr= 1--     -11.074                 -3.826                  5.192
 RC180  Fr= 1--       0.059                  0.539                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06   0.02     0.01   0.00  -0.05     0.04  -0.05   0.01
     2   6    -0.00  -0.01   0.06     0.02   0.00  -0.04     0.03  -0.03  -0.02
     3   6     0.03  -0.07   0.04    -0.04  -0.07  -0.05     0.03  -0.00   0.03
     4   6    -0.03  -0.10   0.08     0.01  -0.06  -0.01    -0.00  -0.01   0.04
     5   8    -0.04  -0.03   0.21    -0.01  -0.10  -0.12    -0.02  -0.02  -0.01
     6   6     0.01  -0.00   0.05    -0.03  -0.02  -0.04    -0.04  -0.05  -0.03
     7   8     0.13   0.00  -0.08     0.12  -0.02   0.07    -0.16  -0.09  -0.03
     8   1     0.05  -0.14   0.02    -0.02   0.07  -0.04     0.08  -0.07   0.01
     9   8     0.03   0.02   0.03    -0.01  -0.02   0.01     0.10   0.25   0.00
    10   1    -0.02   0.00   0.06     0.06   0.00  -0.04     0.02  -0.06  -0.02
    11   1     0.06  -0.02   0.04    -0.09  -0.09  -0.05     0.05   0.04   0.03
    12   8    -0.00  -0.07  -0.03     0.01  -0.09   0.03     0.05  -0.04  -0.04
    13   6     0.05  -0.03  -0.08     0.03   0.17   0.17     0.01   0.03   0.04
    14   1    -0.16  -0.15   0.07     0.15  -0.10  -0.01     0.03   0.00   0.04
    15   8    -0.09  -0.00  -0.18    -0.08   0.06   0.05     0.01  -0.07   0.02
    16   1     0.19   0.07   0.05    -0.10  -0.05  -0.04    -0.05  -0.07  -0.03
    17   1     0.18   0.08  -0.16     0.15   0.11   0.09    -0.33  -0.42   0.21
    18   1     0.04  -0.02  -0.12     0.02  -0.04   0.04    -0.18   0.55   0.27
    19   1    -0.05  -0.06  -0.11     0.05  -0.09   0.09     0.13  -0.02  -0.00
    20   8    -0.10   0.29  -0.02    -0.05   0.11  -0.06    -0.04   0.06  -0.02
    21   1     0.21   0.03  -0.30     0.15   0.10   0.52     0.05   0.02   0.09
    22   1     0.09  -0.25  -0.07     0.03   0.54   0.14     0.04   0.08   0.04
    23   1    -0.34  -0.03  -0.15    -0.01   0.08   0.05     0.14  -0.13  -0.01
    24   1    -0.33   0.25   0.05    -0.10   0.12  -0.20    -0.09   0.06  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    248.9065               283.5834               296.9521
 Red. masses --      2.5540                 2.0853                 3.8093
 Frc consts  --      0.0932                 0.0988                 0.1979
 IR Inten    --      0.9732                24.0543                 4.7254
 RamAct Fr= 1--      0.5071                 0.3445                 0.5225
  Dep-P Fr= 1--      0.6983                 0.6733                 0.6940
  Dep-U Fr= 1--      0.8223                 0.8047                 0.8194
 Alpha2 Fr= 1--      0.0005                 0.0005                 0.0005
 Beta2  Fr= 1--      0.0695                 0.0462                 0.0714
 AlphaG Fr= 1--     -0.0001                 0.0005                 0.0012
 Gamma2 Fr= 1--     -0.1218                 0.1478                -0.0286
 Delta2 Fr= 1--     -0.1346                 0.1499                 0.0531
 Raman1 Fr= 1--       2.029                  1.378                  2.090
 ROA1   Fr= 1--     -15.998                 18.983                 -1.045
 CID1   Fr= 1--      -7.886                 13.777                 -0.500
 Raman2 Fr= 1--       0.834                  0.554                  0.856
 ROA2   Fr= 1--      -1.846                  2.347                 -1.110
 CID2   Fr= 1--      -2.213                  4.234                 -1.297
 Raman3 Fr= 1--       1.668                  1.109                  1.712
 ROA3   Fr= 1--     -15.998                 18.983                 -1.045
 CID3   Fr= 1--      -9.590                 17.120                 -0.610
 RC180  Fr= 1--       0.645                  0.609                  0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.05    -0.01   0.08  -0.04    -0.01  -0.01  -0.18
     2   6    -0.08   0.01   0.05    -0.00   0.03  -0.03    -0.02  -0.01  -0.13
     3   6    -0.02  -0.03   0.01    -0.01   0.02  -0.02    -0.01  -0.03  -0.18
     4   6     0.00   0.00  -0.00    -0.05   0.01   0.00     0.01  -0.04  -0.08
     5   8    -0.01   0.02  -0.03    -0.02   0.03   0.04    -0.03   0.12   0.18
     6   6    -0.04   0.00   0.02     0.02   0.02  -0.01     0.00  -0.04  -0.03
     7   8     0.17   0.02  -0.01    -0.01   0.06   0.01     0.09  -0.10   0.06
     8   1    -0.04  -0.09   0.04    -0.02   0.11  -0.03    -0.08   0.13  -0.17
     9   8    -0.02   0.09  -0.06    -0.04  -0.07  -0.01    -0.09   0.07   0.08
    10   1    -0.16   0.01   0.04     0.02   0.05  -0.03     0.13   0.02  -0.12
    11   1     0.01  -0.05   0.02    -0.05   0.03  -0.02    -0.16  -0.13  -0.18
    12   8    -0.11   0.05  -0.00     0.13  -0.12   0.01    -0.00   0.09   0.10
    13   6    -0.01   0.01   0.03    -0.06  -0.00  -0.02     0.00   0.00  -0.01
    14   1     0.03   0.01  -0.00    -0.07  -0.02   0.00    -0.05  -0.25  -0.09
    15   8     0.11  -0.13  -0.00     0.07  -0.03  -0.00     0.04  -0.07  -0.02
    16   1    -0.07   0.07   0.02     0.04   0.03  -0.01     0.14  -0.18  -0.02
    17   1     0.30   0.26  -0.19    -0.05   0.02   0.12    -0.01  -0.10   0.38
    18   1    -0.18   0.28   0.14    -0.04  -0.02   0.26    -0.13   0.14   0.23
    19   1    -0.30   0.03  -0.15     0.38  -0.08   0.18    -0.04   0.02   0.34
    20   8    -0.02  -0.03  -0.01    -0.07   0.03   0.01     0.03  -0.02   0.01
    21   1    -0.01  -0.01   0.09    -0.06   0.01  -0.05     0.03  -0.01   0.06
    22   1    -0.01   0.07   0.03    -0.07  -0.04  -0.01    -0.06   0.07  -0.02
    23   1     0.44  -0.43  -0.10     0.58  -0.48  -0.14    -0.24   0.22   0.07
    24   1     0.01  -0.02  -0.03    -0.13   0.02  -0.01     0.09  -0.02   0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    330.3392               337.7996               372.3144
 Red. masses --      1.9277                 5.5535                 1.3552
 Frc consts  --      0.1239                 0.3734                 0.1107
 IR Inten    --     56.4263                 3.4468                80.4127
 RamAct Fr= 1--      0.4210                 4.2588                 0.9363
  Dep-P Fr= 1--      0.1492                 0.3857                 0.5050
  Dep-U Fr= 1--      0.2597                 0.5567                 0.6711
 Alpha2 Fr= 1--      0.0065                 0.0332                 0.0045
 Beta2  Fr= 1--      0.0182                 0.3951                 0.1047
 AlphaG Fr= 1--     -0.0081                -0.0087                 0.0035
 Gamma2 Fr= 1--      0.1601                 0.0325                 0.0453
 Delta2 Fr= 1--      0.1809                 0.2143                 0.1746
 Raman1 Fr= 1--       1.684                 17.035                  3.745
 ROA1   Fr= 1--      21.157                  9.978                  9.939
 CID1   Fr= 1--      12.563                  0.586                  2.654
 Raman2 Fr= 1--       0.219                  4.742                  1.257
 ROA2   Fr= 1--       2.394                 -0.934                 -0.309
 CID2   Fr= 1--      10.951                 -0.197                 -0.246
 Raman3 Fr= 1--       0.437                  9.483                  2.513
 ROA3   Fr= 1--      21.157                  9.978                  9.939
 CID3   Fr= 1--      48.381                  1.052                  3.955
 RC180  Fr= 1--      -0.481                  0.113                  0.342
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.03    -0.11  -0.02   0.04    -0.01  -0.01   0.03
     2   6     0.04   0.01  -0.02    -0.17   0.05   0.07    -0.01   0.01   0.07
     3   6     0.00  -0.01  -0.01    -0.07  -0.09  -0.01    -0.01  -0.02  -0.01
     4   6     0.03  -0.04   0.02     0.05  -0.02  -0.04    -0.01   0.00  -0.04
     5   8    -0.00  -0.03   0.03     0.00   0.02   0.04     0.01  -0.00  -0.02
     6   6     0.02   0.03  -0.01    -0.06   0.07   0.07     0.00   0.02   0.05
     7   8     0.01  -0.03  -0.00    -0.06   0.02  -0.03     0.06   0.04  -0.06
     8   1     0.03   0.00  -0.03    -0.15  -0.07   0.03    -0.06  -0.07   0.02
     9   8     0.03  -0.06  -0.03    -0.14   0.05  -0.06     0.02  -0.00  -0.03
    10   1     0.05   0.01  -0.02    -0.27   0.10   0.06    -0.08   0.03   0.07
    11   1    -0.01  -0.00  -0.01    -0.06  -0.14  -0.01     0.02  -0.05  -0.01
    12   8    -0.08   0.09   0.01     0.00  -0.19   0.00    -0.02   0.00   0.00
    13   6     0.04  -0.04   0.01     0.22   0.08  -0.07    -0.03   0.01   0.00
    14   1     0.02  -0.07   0.03    -0.02  -0.03  -0.04    -0.01  -0.01  -0.04
    15   8    -0.10   0.14   0.00    -0.07   0.04  -0.03     0.03  -0.02  -0.01
    16   1     0.06   0.04  -0.01    -0.03   0.16   0.07    -0.03   0.09   0.05
    17   1    -0.16  -0.23   0.35    -0.11  -0.04   0.07    -0.30  -0.37   0.73
    18   1    -0.04   0.09   0.40    -0.23   0.17   0.13     0.08  -0.12  -0.32
    19   1    -0.26   0.06  -0.12     0.19  -0.16   0.13     0.05  -0.01   0.15
    20   8     0.01  -0.01  -0.01     0.35   0.02   0.02    -0.02  -0.01   0.01
    21   1     0.05  -0.04  -0.03     0.24   0.08  -0.05    -0.03   0.00   0.05
    22   1     0.07  -0.07   0.01     0.19   0.10  -0.08    -0.07   0.06  -0.00
    23   1     0.48  -0.43  -0.17     0.03  -0.18  -0.08    -0.10   0.03   0.02
    24   1     0.02  -0.01   0.04     0.37   0.02  -0.01    -0.03  -0.01  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    393.1700               398.2934               404.0285
 Red. masses --      2.8965                 1.4087                 1.2721
 Frc consts  --      0.2638                 0.1317                 0.1224
 IR Inten    --      0.9543                80.3503               176.2038
 RamAct Fr= 1--      0.5714                 0.8084                 0.8824
  Dep-P Fr= 1--      0.6085                 0.7193                 0.5342
  Dep-U Fr= 1--      0.7566                 0.8367                 0.6964
 Alpha2 Fr= 1--      0.0015                 0.0004                 0.0037
 Beta2  Fr= 1--      0.0721                 0.1127                 0.1024
 AlphaG Fr= 1--      0.0033                 0.0006                 0.0022
 Gamma2 Fr= 1--      0.5682                -0.4186                -0.2759
 Delta2 Fr= 1--      0.2346                -0.4545                -0.2617
 Raman1 Fr= 1--       2.286                  3.234                  3.530
 ROA1   Fr= 1--      62.057                -54.726                -34.861
 CID1   Fr= 1--      27.152                -16.924                 -9.877
 Raman2 Fr= 1--       0.865                  1.353                  1.229
 ROA2   Fr= 1--      11.761                 -6.410                 -4.527
 CID2   Fr= 1--      13.603                 -4.738                 -3.684
 Raman3 Fr= 1--       1.729                  2.706                  2.458
 ROA3   Fr= 1--      62.057                -54.726                -34.861
 CID3   Fr= 1--      35.887                -20.226                -14.183
 RC180  Fr= 1--       0.513                  0.673                  0.393
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.02     0.02  -0.05   0.01    -0.01   0.02   0.02
     2   6     0.06  -0.01   0.14    -0.03   0.00   0.00     0.00  -0.01  -0.00
     3   6     0.01  -0.00  -0.13     0.04  -0.00   0.01    -0.02   0.01   0.03
     4   6    -0.05  -0.02  -0.16     0.05  -0.01   0.03     0.00   0.01   0.03
     5   8     0.02  -0.04   0.04    -0.02   0.04  -0.02     0.03  -0.03  -0.02
     6   6    -0.01  -0.01   0.13    -0.03   0.03  -0.01     0.02  -0.02  -0.00
     7   8    -0.06  -0.01   0.01    -0.01  -0.06  -0.01     0.03   0.05  -0.02
     8   1    -0.15  -0.03   0.01     0.05  -0.07   0.01     0.02   0.00   0.02
     9   8     0.15  -0.02  -0.04    -0.03   0.01   0.01     0.01  -0.05  -0.04
    10   1    -0.00   0.09   0.14    -0.03  -0.01   0.00    -0.01  -0.00  -0.00
    11   1     0.04  -0.16  -0.13     0.08   0.02   0.00     0.01   0.04   0.03
    12   8     0.03   0.07   0.04    -0.02   0.06  -0.05    -0.05   0.01  -0.04
    13   6    -0.08   0.09  -0.03     0.04  -0.04   0.03     0.00  -0.02   0.00
    14   1    -0.13  -0.14  -0.17     0.09  -0.02   0.03     0.02   0.05   0.03
    15   8    -0.09  -0.02  -0.05    -0.02   0.02   0.02     0.01  -0.01  -0.02
    16   1    -0.01   0.11   0.12    -0.05   0.03  -0.01     0.01  -0.01  -0.00
    17   1     0.12   0.16  -0.41     0.06   0.01  -0.17     0.00   0.03   0.05
    18   1     0.04   0.12   0.10     0.08  -0.16  -0.32    -0.20   0.28   0.64
    19   1     0.10   0.01   0.37     0.33  -0.02   0.76     0.21  -0.02   0.46
    20   8     0.01  -0.02   0.03    -0.01   0.01  -0.01    -0.01  -0.01  -0.00
    21   1    -0.04   0.04   0.17     0.05  -0.04   0.01    -0.02  -0.01  -0.04
    22   1    -0.23   0.27  -0.04     0.07  -0.05   0.03     0.03  -0.06   0.01
    23   1    -0.07  -0.30  -0.10     0.21  -0.14  -0.04    -0.30   0.27   0.07
    24   1     0.10  -0.01   0.03    -0.09   0.00  -0.06    -0.06  -0.01  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    420.9287               446.3458               478.9638
 Red. masses --      5.0904                 3.3305                 4.6820
 Frc consts  --      0.5314                 0.3909                 0.6328
 IR Inten    --      7.6571                21.1170                 4.8787
 RamAct Fr= 1--      4.9781                 3.3904                 9.5787
  Dep-P Fr= 1--      0.4640                 0.2894                 0.0731
  Dep-U Fr= 1--      0.6339                 0.4488                 0.1362
 Alpha2 Fr= 1--      0.0288                 0.0359                 0.1790
 Beta2  Fr= 1--      0.5259                 0.2536                 0.2175
 AlphaG Fr= 1--     -0.0001                 0.0039                -0.0055
 Gamma2 Fr= 1--      0.4941                -0.5047                -0.1347
 Delta2 Fr= 1--      0.1400                -0.1231                -0.2294
 Raman1 Fr= 1--      19.913                 13.562                 38.315
 ROA1   Fr= 1--      51.917                -52.386                -20.266
 CID1   Fr= 1--       2.607                 -3.863                 -0.529
 Raman2 Fr= 1--       6.311                  3.044                  2.610
 ROA2   Fr= 1--      10.739                -11.127                 -1.397
 CID2   Fr= 1--       1.702                 -3.656                 -0.535
 Raman3 Fr= 1--      12.623                  6.087                  5.220
 ROA3   Fr= 1--      51.917                -52.386                -20.266
 CID3   Fr= 1--       4.113                 -8.606                 -3.882
 RC180  Fr= 1--       0.268                 -0.102                 -0.728
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.08   0.05     0.00  -0.10   0.04    -0.04   0.13  -0.03
     2   6    -0.06  -0.09   0.01    -0.07   0.03   0.09    -0.05   0.08   0.04
     3   6     0.15   0.12   0.07     0.08  -0.07  -0.04     0.07   0.04  -0.13
     4   6    -0.00   0.13   0.02     0.07  -0.04  -0.07     0.10  -0.17   0.04
     5   8    -0.09   0.11  -0.04     0.01   0.14  -0.04    -0.00  -0.15  -0.06
     6   6    -0.17  -0.08  -0.01     0.01   0.16   0.04    -0.06  -0.02   0.08
     7   8     0.11  -0.06  -0.03    -0.06  -0.12  -0.01    -0.09   0.16   0.04
     8   1     0.11  -0.13   0.05    -0.05  -0.16   0.03    -0.17   0.19  -0.03
     9   8    -0.07  -0.12  -0.04    -0.05  -0.07  -0.06    -0.08   0.02  -0.03
    10   1    -0.10  -0.10   0.00    -0.14   0.10   0.09    -0.08   0.21   0.04
    11   1     0.21   0.20   0.06     0.12  -0.16  -0.04     0.03   0.05  -0.13
    12   8     0.21   0.11  -0.01     0.07  -0.02   0.04     0.12   0.15   0.03
    13   6    -0.00   0.08  -0.00    -0.01  -0.05   0.06     0.14  -0.17   0.10
    14   1    -0.00   0.21   0.03     0.15  -0.09  -0.07     0.25  -0.29   0.04
    15   8    -0.20  -0.12  -0.00     0.12   0.10  -0.02    -0.01  -0.13  -0.02
    16   1    -0.25  -0.10  -0.01    -0.03   0.29   0.03    -0.13   0.06   0.08
    17   1     0.01  -0.16   0.22    -0.02  -0.14  -0.15    -0.12   0.09   0.05
    18   1    -0.14   0.02   0.33    -0.15   0.12   0.39    -0.05  -0.01  -0.04
    19   1     0.11   0.15  -0.28    -0.14  -0.00  -0.31    -0.11   0.12  -0.16
    20   8     0.05   0.02  -0.01    -0.11   0.02  -0.01    -0.04   0.03  -0.05
    21   1    -0.04   0.07   0.01     0.05  -0.07   0.14     0.26  -0.15   0.04
    22   1     0.01   0.10  -0.01    -0.05   0.04   0.05     0.25  -0.19   0.10
    23   1    -0.20  -0.16  -0.01    -0.14   0.34   0.05    -0.20  -0.07   0.02
    24   1     0.17   0.03   0.08    -0.23   0.01  -0.12    -0.04   0.01   0.27
                     19                     20                     21
                      A                      A                      A
 Frequencies --    500.6743               551.3522               598.3011
 Red. masses --      1.1298                 3.0665                 5.0855
 Frc consts  --      0.1669                 0.5492                 1.0726
 IR Inten    --    134.8776                32.3786                 2.8241
 RamAct Fr= 1--      0.8241                 0.7604                 0.7397
  Dep-P Fr= 1--      0.4907                 0.2015                 0.2501
  Dep-U Fr= 1--      0.6584                 0.3354                 0.4002
 Alpha2 Fr= 1--      0.0042                 0.0103                 0.0088
 Beta2  Fr= 1--      0.0904                 0.0425                 0.0493
 AlphaG Fr= 1--      0.0005                 0.0041                 0.0093
 Gamma2 Fr= 1--     -0.5734                -0.0071                -0.1065
 Delta2 Fr= 1--     -0.5052                 0.0415                -0.0944
 Raman1 Fr= 1--       3.296                  3.042                  2.959
 ROA1   Fr= 1--     -71.209                  0.644                -13.249
 CID1   Fr= 1--     -21.603                  0.212                 -4.478
 Raman2 Fr= 1--       1.085                  0.510                  0.592
 ROA2   Fr= 1--      -9.719                 -0.502                 -1.802
 CID2   Fr= 1--      -8.957                 -0.985                 -3.044
 Raman3 Fr= 1--       2.170                  1.020                  1.184
 ROA3   Fr= 1--     -71.209                  0.644                -13.249
 CID3   Fr= 1--     -32.812                  0.631                -11.191
 RC180  Fr= 1--       0.317                 -0.329                 -0.200
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.00     0.05   0.02   0.20    -0.13  -0.07   0.07
     2   6    -0.00   0.00   0.01    -0.01  -0.06  -0.08    -0.14  -0.11   0.00
     3   6    -0.01  -0.01  -0.00     0.11  -0.09   0.04     0.00   0.06  -0.04
     4   6    -0.00   0.01   0.01    -0.01  -0.11  -0.13     0.07   0.08  -0.03
     5   8     0.00   0.00  -0.01    -0.05   0.03   0.07     0.25  -0.13   0.03
     6   6     0.01   0.02   0.00     0.02  -0.05  -0.14     0.19  -0.11   0.02
     7   8     0.01  -0.02  -0.00    -0.05   0.16  -0.04     0.04  -0.03  -0.03
     8   1    -0.01  -0.03  -0.00     0.18   0.01   0.20    -0.27  -0.16   0.05
     9   8     0.00  -0.00  -0.00    -0.05  -0.01   0.02    -0.17   0.12  -0.01
    10   1    -0.01   0.00   0.01    -0.07  -0.34  -0.09    -0.29  -0.28  -0.02
    11   1    -0.01   0.01   0.00     0.35  -0.31   0.03     0.03   0.09  -0.04
    12   8    -0.01  -0.03  -0.02    -0.01   0.03  -0.01     0.13   0.05   0.01
    13   6    -0.01   0.02   0.01    -0.01   0.02  -0.01    -0.07   0.02  -0.02
    14   1     0.03   0.02   0.02    -0.10  -0.20  -0.13     0.04   0.08  -0.03
    15   8     0.02   0.01  -0.00     0.01   0.03   0.03    -0.07   0.14   0.01
    16   1     0.00   0.03   0.00     0.10  -0.20  -0.13     0.34  -0.17   0.02
    17   1     0.01  -0.01  -0.00    -0.10  -0.05  -0.08     0.06   0.08   0.04
    18   1    -0.00   0.01   0.01    -0.03  -0.02   0.03    -0.27   0.18  -0.16
    19   1     0.03  -0.04   0.07    -0.11  -0.02   0.06     0.16   0.07  -0.04
    20   8    -0.04   0.01  -0.05     0.00   0.00   0.00    -0.09  -0.03   0.01
    21   1    -0.00   0.02   0.01     0.13  -0.03   0.25    -0.16   0.02  -0.06
    22   1     0.03   0.02   0.01    -0.15   0.26  -0.02    -0.12  -0.04  -0.01
    23   1     0.00   0.03   0.00     0.16   0.13   0.03     0.09  -0.14  -0.06
    24   1     0.45   0.02   0.88     0.09   0.01   0.13    -0.08  -0.02  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    619.9599               665.9491               899.6210
 Red. masses --      3.4356                 4.9112                 1.7753
 Frc consts  --      0.7780                 1.2833                 0.8465
 IR Inten    --      7.7947                19.4019                 8.6701
 RamAct Fr= 1--      0.1812                 0.4014                 1.8644
  Dep-P Fr= 1--      0.7334                 0.6182                 0.2750
  Dep-U Fr= 1--      0.8462                 0.7641                 0.4313
 Alpha2 Fr= 1--      0.0001                 0.0010                 0.0206
 Beta2  Fr= 1--      0.0256                 0.0511                 0.1340
 AlphaG Fr= 1--      0.0005                 0.0013                -0.0017
 Gamma2 Fr= 1--      0.0870                -0.2452                 0.2684
 Delta2 Fr= 1--      0.0499                -0.1195                 0.2341
 Raman1 Fr= 1--       0.725                  1.606                  7.458
 ROA1   Fr= 1--       9.946                -27.363                 33.257
 CID1   Fr= 1--      13.720                -17.043                  4.460
 Raman2 Fr= 1--       0.307                  0.613                  1.608
 ROA2   Fr= 1--       1.687                 -4.929                  4.569
 CID2   Fr= 1--       5.502                 -8.035                  2.841
 Raman3 Fr= 1--       0.613                  1.227                  3.217
 ROA3   Fr= 1--       9.946                -27.363                 33.257
 CID3   Fr= 1--      16.214                -22.305                 10.339
 RC180  Fr= 1--       0.692                  0.528                 -0.137
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17  -0.02   0.04     0.05   0.05  -0.02    -0.06   0.01  -0.03
     2   6    -0.00  -0.17   0.08     0.03   0.04  -0.07    -0.01  -0.01  -0.01
     3   6    -0.09   0.03  -0.13     0.01  -0.08   0.04    -0.05   0.09   0.12
     4   6     0.05   0.02   0.03     0.19   0.10  -0.11    -0.03  -0.04  -0.09
     5   8    -0.05   0.15  -0.00     0.19   0.22  -0.03    -0.00   0.02  -0.01
     6   6    -0.02  -0.03  -0.13     0.04  -0.07   0.11     0.03  -0.01   0.03
     7   8     0.02   0.08  -0.01    -0.04   0.08   0.02     0.02  -0.03  -0.01
     8   1    -0.52  -0.08   0.03     0.22   0.15  -0.00     0.01  -0.02  -0.03
     9   8     0.17  -0.02   0.00    -0.01   0.01   0.02     0.02   0.00   0.01
    10   1    -0.03  -0.45   0.07     0.09   0.16  -0.06     0.02   0.01  -0.01
    11   1    -0.19   0.04  -0.12     0.02  -0.25   0.04    -0.09   0.19   0.12
    12   8     0.02  -0.04   0.04    -0.12  -0.13  -0.00     0.00   0.01  -0.01
    13   6     0.08  -0.08   0.06     0.03  -0.06   0.06     0.07  -0.13  -0.04
    14   1     0.20  -0.08   0.03     0.36   0.16  -0.10    -0.25   0.16  -0.09
    15   8    -0.03   0.03   0.03    -0.19  -0.10  -0.01     0.00   0.01  -0.00
    16   1    -0.04  -0.08  -0.12     0.00  -0.20   0.11     0.04  -0.01   0.03
    17   1     0.03   0.19   0.07    -0.05  -0.01  -0.04     0.04   0.12   0.08
    18   1    -0.02   0.13  -0.10     0.05  -0.04   0.04    -0.02   0.03  -0.01
    19   1     0.07  -0.01  -0.04    -0.07  -0.11  -0.04     0.21   0.10  -0.10
    20   8    -0.00   0.01  -0.02    -0.10  -0.01  -0.01     0.01   0.01   0.00
    21   1     0.04  -0.05  -0.09    -0.02  -0.06   0.04     0.33  -0.24   0.50
    22   1     0.18  -0.19   0.06    -0.01  -0.07   0.06    -0.14   0.40  -0.08
    23   1     0.10   0.14   0.03    -0.26  -0.43  -0.05    -0.04  -0.05  -0.01
    24   1    -0.09  -0.00   0.02    -0.15  -0.02   0.09    -0.20  -0.03   0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --    997.7057              1010.3726              1023.4088
 Red. masses --      3.9671                 3.8869                 3.7461
 Frc consts  --      2.3266                 2.3379                 2.3117
 IR Inten    --    129.1611                41.2653                19.3072
 RamAct Fr= 1--      0.1110                 1.5862                 0.7443
  Dep-P Fr= 1--      0.7149                 0.4124                 0.6157
  Dep-U Fr= 1--      0.8337                 0.5840                 0.7621
 Alpha2 Fr= 1--      0.0001                 0.0112                 0.0018
 Beta2  Fr= 1--      0.0154                 0.1544                 0.0945
 AlphaG Fr= 1--      0.0001                 0.0150                -0.0064
 Gamma2 Fr= 1--     -0.3051                 0.1036                 0.1874
 Delta2 Fr= 1--     -0.2927                 0.1970                 0.1294
 Raman1 Fr= 1--       0.444                  6.345                  2.977
 ROA1   Fr= 1--     -38.652                 16.248                 22.129
 CID1   Fr= 1--     -87.093                  2.561                  7.433
 Raman2 Fr= 1--       0.185                  1.853                  1.134
 ROA2   Fr= 1--      -4.980                  0.911                  3.462
 CID2   Fr= 1--     -26.917                  0.492                  3.052
 Raman3 Fr= 1--       0.370                  3.705                  2.269
 ROA3   Fr= 1--     -38.652                 16.248                 22.129
 CID3   Fr= 1--    -104.462                  4.385                  9.753
 RC180  Fr= 1--       0.667                  0.168                  0.524
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.09   0.16    -0.10  -0.06  -0.17     0.24   0.01  -0.09
     2   6     0.07   0.23   0.09    -0.08   0.04   0.05     0.05  -0.16   0.17
     3   6    -0.07   0.11  -0.04     0.10  -0.11   0.13     0.05   0.15  -0.09
     4   6     0.06   0.04  -0.08     0.18   0.02   0.02     0.03   0.04  -0.01
     5   8     0.04  -0.06   0.09     0.08  -0.07   0.10     0.05  -0.04   0.05
     6   6    -0.00   0.01  -0.21    -0.15   0.06  -0.14    -0.11  -0.02  -0.05
     7   8     0.03  -0.14  -0.06    -0.04   0.06   0.03    -0.00   0.07   0.06
     8   1    -0.15  -0.10   0.13    -0.13  -0.04  -0.16     0.11   0.07  -0.08
     9   8    -0.03   0.01  -0.04     0.08  -0.03   0.02    -0.11   0.00  -0.05
    10   1    -0.06   0.12   0.08     0.09   0.16   0.07    -0.00  -0.18   0.15
    11   1    -0.02  -0.01  -0.04     0.04   0.01   0.13    -0.25   0.24  -0.08
    12   8    -0.04  -0.03   0.03     0.03   0.02  -0.03    -0.12  -0.09   0.05
    13   6     0.04  -0.02   0.02    -0.01   0.06  -0.13     0.01  -0.04  -0.03
    14   1     0.07  -0.11  -0.08     0.06   0.24   0.03    -0.05   0.03  -0.01
    15   8    -0.08  -0.12   0.03    -0.03  -0.04   0.00     0.02   0.04  -0.01
    16   1     0.07  -0.03  -0.20    -0.11   0.17  -0.13    -0.12   0.19  -0.05
    17   1     0.04  -0.13  -0.06    -0.01   0.32   0.20    -0.05  -0.37  -0.25
    18   1     0.36  -0.28   0.24    -0.04   0.06  -0.07    -0.29   0.14  -0.18
    19   1     0.27   0.11  -0.15    -0.15  -0.06   0.07     0.11   0.01  -0.05
    20   8    -0.02  -0.01   0.00    -0.07  -0.03   0.04    -0.00   0.00   0.01
    21   1    -0.01  -0.02  -0.01    -0.02   0.01   0.11     0.02  -0.08   0.16
    22   1     0.01  -0.04   0.02    -0.20   0.25  -0.13    -0.06   0.16  -0.05
    23   1     0.28   0.35   0.06     0.31   0.35   0.03     0.18   0.20  -0.01
    24   1    -0.08  -0.02   0.04     0.02  -0.02  -0.00    -0.11  -0.02   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1049.4672              1079.6879              1090.3917
 Red. masses --      3.1765                 4.5624                 4.2117
 Frc consts  --      2.0613                 3.1336                 2.9504
 IR Inten    --     30.8342                 7.9353               209.5780
 RamAct Fr= 1--      1.2166                 1.4529                 5.3666
  Dep-P Fr= 1--      0.6247                 0.5092                 0.4165
  Dep-U Fr= 1--      0.7690                 0.6748                 0.5881
 Alpha2 Fr= 1--      0.0028                 0.0069                 0.0374
 Beta2  Fr= 1--      0.1559                 0.1634                 0.5260
 AlphaG Fr= 1--     -0.0115                -0.0056                 0.0289
 Gamma2 Fr= 1--      1.6515                -0.8972                 1.5348
 Delta2 Fr= 1--      1.4451                -0.3485                 0.5997
 Raman1 Fr= 1--       4.866                  5.812                 21.467
 ROA1   Fr= 1--     204.789                -97.287                166.528
 CID1   Fr= 1--      42.083                -16.740                  7.758
 Raman2 Fr= 1--       1.871                  1.961                  6.312
 ROA2   Fr= 1--      28.076                -18.745                 32.037
 CID2   Fr= 1--      15.005                 -9.560                  5.075
 Raman3 Fr= 1--       3.742                  3.922                 12.625
 ROA3   Fr= 1--     204.789                -97.287                166.528
 CID3   Fr= 1--      54.726                -24.808                 13.191
 RC180  Fr= 1--       0.538                  0.350                  0.176
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.04     0.08   0.07   0.02     0.06   0.12  -0.05
     2   6     0.06   0.09   0.12    -0.04  -0.03   0.03    -0.14  -0.01   0.07
     3   6     0.11  -0.07  -0.06    -0.17  -0.05   0.01    -0.11  -0.06   0.07
     4   6    -0.12  -0.06   0.18    -0.12  -0.15   0.05    -0.10  -0.11  -0.00
     5   8     0.04   0.11  -0.08     0.13   0.10  -0.04     0.17   0.06   0.00
     6   6     0.15  -0.05  -0.08    -0.03   0.04  -0.03    -0.03   0.03  -0.08
     7   8    -0.02   0.02   0.02     0.02  -0.02  -0.00     0.01  -0.04  -0.01
     8   1    -0.37  -0.11  -0.05     0.24   0.11   0.03     0.41   0.16  -0.04
     9   8    -0.06   0.03  -0.05     0.01  -0.02   0.01     0.06  -0.04   0.03
    10   1     0.01   0.09   0.11    -0.08  -0.11   0.02    -0.10   0.02   0.08
    11   1    -0.01   0.20  -0.05    -0.24   0.05   0.00    -0.10  -0.14   0.06
    12   8     0.01  -0.01   0.00     0.06   0.07  -0.03     0.05   0.06  -0.04
    13   6    -0.05  -0.04  -0.08     0.24   0.16  -0.11    -0.20  -0.09   0.12
    14   1    -0.25   0.15   0.17    -0.24  -0.12   0.03     0.12  -0.21   0.00
    15   8    -0.07  -0.05   0.03    -0.03  -0.02   0.01    -0.06  -0.03   0.01
    16   1     0.20  -0.12  -0.08     0.00   0.06  -0.03     0.13   0.12  -0.07
    17   1    -0.03  -0.03  -0.02    -0.01  -0.23  -0.13     0.00  -0.08  -0.03
    18   1     0.12  -0.11   0.10    -0.12   0.08  -0.09    -0.27   0.21  -0.21
    19   1    -0.38  -0.18   0.20     0.05   0.06  -0.03     0.06   0.07  -0.05
    20   8     0.04   0.02   0.01    -0.18  -0.13   0.11     0.16   0.09  -0.10
    21   1     0.05  -0.10   0.25     0.43   0.18  -0.18    -0.25  -0.06  -0.02
    22   1    -0.04   0.29  -0.10     0.24  -0.05  -0.07    -0.13  -0.17   0.11
    23   1     0.02   0.03   0.03     0.02   0.02   0.01     0.21   0.21   0.02
    24   1    -0.03   0.01   0.03     0.21  -0.06  -0.13    -0.05   0.05   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1099.2875              1104.1177              1114.2679
 Red. masses --      3.2079                 3.5397                 2.5867
 Frc consts  --      2.2840                 2.5424                 1.8922
 IR Inten    --    190.0371                94.1782                66.7533
 RamAct Fr= 1--      4.6616                 1.7682                 7.5543
  Dep-P Fr= 1--      0.1460                 0.5267                 0.7255
  Dep-U Fr= 1--      0.2548                 0.6900                 0.8409
 Alpha2 Fr= 1--      0.0728                 0.0077                 0.0032
 Beta2  Fr= 1--      0.1980                 0.2033                 1.0587
 AlphaG Fr= 1--     -0.0194                 0.0152                 0.0005
 Gamma2 Fr= 1--     -1.1709                -1.1362                 2.3221
 Delta2 Fr= 1--     -0.7669                -0.6600                 0.6979
 Raman1 Fr= 1--      18.646                  7.073                 30.217
 ROA1   Fr= 1--    -136.949               -130.191                245.256
 CID1   Fr= 1--      -7.345                -18.407                  8.116
 Raman2 Fr= 1--       2.376                  2.440                 12.705
 ROA2   Fr= 1--     -21.967                -21.988                 50.148
 CID2   Fr= 1--      -9.247                 -9.011                  3.947
 Raman3 Fr= 1--       4.751                  4.880                 25.409
 ROA3   Fr= 1--    -136.949               -130.191                245.256
 CID3   Fr= 1--     -28.825                -26.677                  9.652
 RC180  Fr= 1--      -0.490                  0.380                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.05  -0.14    -0.08   0.14   0.03    -0.04   0.23   0.00
     2   6     0.06  -0.05   0.18     0.02  -0.06  -0.07     0.01  -0.06   0.04
     3   6     0.03   0.02   0.15     0.19   0.16   0.01     0.08  -0.09  -0.03
     4   6     0.03  -0.04  -0.12     0.03  -0.18   0.07    -0.06   0.16   0.00
     5   8    -0.14   0.02  -0.02     0.07   0.03  -0.03    -0.01  -0.04   0.02
     6   6     0.18  -0.07  -0.03    -0.03   0.13   0.04    -0.02  -0.00   0.01
     7   8    -0.01  -0.01   0.01     0.01  -0.09  -0.06     0.01  -0.11  -0.06
     8   1     0.10  -0.05  -0.14    -0.17   0.14   0.01    -0.03   0.31  -0.00
     9   8    -0.07   0.02  -0.05     0.01  -0.00   0.01    -0.01  -0.02  -0.00
    10   1     0.17   0.12   0.18     0.01  -0.30  -0.08     0.04  -0.14   0.04
    11   1     0.08  -0.12   0.15     0.26   0.22   0.03     0.27  -0.28  -0.03
    12   8    -0.01   0.00  -0.02    -0.11  -0.08   0.06     0.01  -0.01  -0.01
    13   6     0.02   0.07   0.08    -0.09   0.06  -0.07     0.09  -0.04   0.03
    14   1     0.07  -0.14  -0.11     0.14  -0.39   0.07    -0.25   0.32   0.00
    15   8    -0.03  -0.01   0.02    -0.02  -0.04   0.02     0.01   0.01  -0.00
    16   1     0.21   0.05  -0.04    -0.07   0.11   0.04    -0.01   0.05   0.01
    17   1     0.03   0.25   0.14     0.05   0.32   0.20     0.03   0.09   0.07
    18   1    -0.20   0.12  -0.11    -0.11   0.08  -0.07    -0.24   0.16  -0.16
    19   1     0.10   0.04  -0.04     0.09   0.00  -0.04    -0.40  -0.19   0.16
    20   8    -0.03  -0.02  -0.01    -0.00  -0.00   0.01    -0.02  -0.01   0.01
    21   1     0.19   0.17  -0.30     0.11   0.08  -0.07    -0.03  -0.07   0.10
    22   1    -0.04  -0.34   0.11    -0.15   0.01  -0.06     0.17   0.05   0.03
    23   1     0.08   0.12   0.02    -0.10  -0.11   0.01     0.04   0.04  -0.00
    24   1     0.28   0.03  -0.17     0.25   0.04  -0.11    -0.16  -0.03   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1119.1060              1136.1901              1160.7147
 Red. masses --      3.7895                 3.3513                 2.9776
 Frc consts  --      2.7963                 2.5490                 2.3636
 IR Inten    --    130.4360                 8.2614                39.5947
 RamAct Fr= 1--      6.2040                 4.3428                 3.6416
  Dep-P Fr= 1--      0.5372                 0.7495                 0.5713
  Dep-U Fr= 1--      0.6989                 0.8568                 0.7272
 Alpha2 Fr= 1--      0.0254                 0.0000                 0.0123
 Beta2  Fr= 1--      0.7227                 0.6202                 0.4413
 AlphaG Fr= 1--     -0.0230                -0.0001                -0.0102
 Gamma2 Fr= 1--      1.3259                -0.6307                -0.2532
 Delta2 Fr= 1--      0.9609                -0.3053                 0.3831
 Raman1 Fr= 1--      24.816                 17.371                 14.567
 ROA1   Fr= 1--     158.039                -70.315                -12.047
 CID1   Fr= 1--       6.368                 -4.048                 -0.827
 Raman2 Fr= 1--       8.672                  7.442                  5.296
 ROA2   Fr= 1--      24.135                -12.694                 -9.141
 CID2   Fr= 1--       2.783                 -1.706                 -1.726
 Raman3 Fr= 1--      17.344                 14.884                 10.592
 ROA3   Fr= 1--     158.039                -70.315                -12.047
 CID3   Fr= 1--       9.112                 -4.724                 -1.137
 RC180  Fr= 1--       0.398                  0.714                  0.454
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03  -0.01    -0.02   0.09   0.05    -0.02  -0.12   0.00
     2   6    -0.21  -0.01  -0.05     0.20  -0.10   0.02     0.12  -0.09  -0.09
     3   6     0.00   0.02  -0.07    -0.16  -0.13   0.06    -0.00  -0.00  -0.01
     4   6     0.12   0.06   0.03     0.16  -0.04   0.06    -0.10   0.05  -0.05
     5   8    -0.15  -0.05  -0.03    -0.06   0.01   0.01     0.06  -0.03   0.02
     6   6     0.25   0.14   0.02     0.02   0.09   0.03     0.02   0.23   0.02
     7   8     0.01   0.01   0.01     0.02  -0.03  -0.02    -0.01   0.06   0.02
     8   1     0.19   0.17   0.00    -0.12   0.11   0.05    -0.04  -0.16   0.00
     9   8     0.09  -0.04   0.07    -0.10   0.04  -0.06    -0.05   0.03  -0.02
    10   1    -0.31  -0.09  -0.05     0.24  -0.35   0.00     0.20  -0.19  -0.10
    11   1    -0.10   0.09  -0.06    -0.31  -0.07   0.05     0.04  -0.04  -0.01
    12   8    -0.02  -0.02   0.01     0.07   0.07  -0.05     0.02   0.00  -0.00
    13   6     0.00   0.00  -0.08    -0.08   0.01  -0.11     0.04  -0.03   0.10
    14   1     0.07   0.02   0.04     0.37  -0.00   0.07    -0.37   0.12  -0.06
    15   8    -0.09  -0.11   0.05    -0.01  -0.03   0.02    -0.08  -0.12   0.03
    16   1     0.42   0.24   0.01    -0.15   0.15   0.04     0.13   0.56   0.03
    17   1    -0.03  -0.34  -0.20     0.01  -0.12  -0.10    -0.00   0.16   0.09
    18   1    -0.16   0.15  -0.08    -0.03  -0.02   0.00     0.05  -0.05   0.05
    19   1     0.01  -0.00  -0.01     0.03   0.05  -0.03    -0.07  -0.03   0.04
    20   8    -0.01  -0.00   0.02     0.02   0.01   0.01     0.01   0.01  -0.02
    21   1    -0.10  -0.05   0.12    -0.29  -0.06   0.13     0.11   0.01  -0.07
    22   1    -0.00   0.22  -0.10    -0.06   0.27  -0.14    -0.03  -0.20   0.12
    23   1     0.09   0.15   0.07    -0.15  -0.13   0.02     0.19   0.24   0.06
    24   1    -0.07  -0.01   0.04    -0.13  -0.01   0.09     0.01   0.01  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1189.1415              1228.3300              1249.4276
 Red. masses --      1.1651                 1.2601                 1.1551
 Frc consts  --      0.9707                 1.1202                 1.0625
 IR Inten    --     12.2110                 3.9138                10.5409
 RamAct Fr= 1--      2.1975                 1.8988                 4.3225
  Dep-P Fr= 1--      0.7449                 0.3590                 0.7491
  Dep-U Fr= 1--      0.8538                 0.5283                 0.8565
 Alpha2 Fr= 1--      0.0002                 0.0162                 0.0001
 Beta2  Fr= 1--      0.3127                 0.1672                 0.6171
 AlphaG Fr= 1--     -0.0010                 0.0031                 0.0016
 Gamma2 Fr= 1--     -2.1357                 1.2366                -0.0837
 Delta2 Fr= 1--     -1.4936                 1.0251                -0.0825
 Raman1 Fr= 1--       8.790                  7.595                 17.290
 ROA1   Fr= 1--    -252.822                151.516                -10.679
 CID1   Fr= 1--     -28.763                 19.949                 -0.618
 Raman2 Fr= 1--       3.752                  2.006                  7.405
 ROA2   Fr= 1--     -39.308                 21.478                 -1.350
 CID2   Fr= 1--     -10.476                 10.705                 -0.182
 Raman3 Fr= 1--       7.505                  4.013                 14.809
 ROA3   Fr= 1--    -252.822                151.516                -10.679
 CID3   Fr= 1--     -33.688                 37.761                 -0.721
 RC180  Fr= 1--       0.708                  0.057                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04   0.01    -0.05  -0.02   0.09     0.01   0.00   0.02
     2   6     0.02  -0.02   0.01     0.03  -0.03  -0.03    -0.00  -0.01   0.03
     3   6    -0.01   0.03  -0.03    -0.02  -0.00  -0.04    -0.05   0.01  -0.06
     4   6    -0.03   0.01   0.04     0.03  -0.00   0.03     0.03   0.01   0.00
     5   8     0.00   0.01  -0.02    -0.01   0.01  -0.00    -0.01  -0.00   0.01
     6   6     0.02  -0.02  -0.00    -0.00  -0.05   0.01     0.01  -0.01  -0.00
     7   8    -0.01   0.01  -0.00     0.02  -0.00  -0.02    -0.03  -0.01  -0.01
     8   1     0.33  -0.08   0.01     0.05   0.22   0.11     0.62  -0.11   0.02
     9   8    -0.01   0.00  -0.01    -0.01  -0.02   0.01    -0.00   0.02  -0.01
    10   1     0.17   0.26   0.03     0.34   0.58   0.01    -0.10  -0.12   0.02
    11   1     0.26  -0.26  -0.03     0.06   0.17  -0.03    -0.01   0.33  -0.06
    12   8    -0.01  -0.00   0.01     0.01  -0.00   0.01     0.03  -0.02   0.00
    13   6     0.02   0.01  -0.05    -0.02  -0.01  -0.01    -0.01  -0.02  -0.01
    14   1     0.07  -0.30   0.03     0.02   0.10   0.03     0.11   0.03   0.00
    15   8    -0.01  -0.00  -0.00    -0.01   0.00  -0.01     0.00   0.00   0.00
    16   1     0.01   0.11  -0.01     0.01   0.14   0.01    -0.05   0.04  -0.00
    17   1     0.01   0.23   0.14    -0.01  -0.16  -0.09     0.02   0.39   0.24
    18   1    -0.08   0.06  -0.06    -0.25   0.17  -0.18     0.13  -0.09   0.09
    19   1     0.15   0.07  -0.09    -0.05  -0.03   0.03    -0.31  -0.15   0.15
    20   8     0.00  -0.01   0.03    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.36  -0.05   0.08     0.27   0.01   0.00     0.14  -0.01   0.01
    22   1     0.37   0.18  -0.07    -0.25  -0.02   0.00    -0.17   0.01  -0.01
    23   1     0.08   0.09   0.00     0.18   0.17  -0.01    -0.02  -0.01   0.00
    24   1    -0.25  -0.05   0.15     0.16   0.03  -0.09     0.07   0.01  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1274.0805              1280.5282              1306.9922
 Red. masses --      1.2554                 1.2923                 1.1518
 Frc consts  --      1.2007                 1.2485                 1.1593
 IR Inten    --     19.9903                69.1661                 8.6203
 RamAct Fr= 1--      2.5625                 3.1586                 1.8841
  Dep-P Fr= 1--      0.3982                 0.4136                 0.7464
  Dep-U Fr= 1--      0.5696                 0.5852                 0.8548
 Alpha2 Fr= 1--      0.0191                 0.0223                 0.0001
 Beta2  Fr= 1--      0.2433                 0.3081                 0.2684
 AlphaG Fr= 1--     -0.0056                 0.0137                 0.0006
 Gamma2 Fr= 1--     -0.4282                -0.3184                 0.2118
 Delta2 Fr= 1--     -1.0300                -0.8933                 0.3952
 Raman1 Fr= 1--      10.250                 12.634                  7.537
 ROA1   Fr= 1--     -74.069                -59.146                 32.979
 CID1   Fr= 1--      -7.226                 -4.681                  4.376
 Raman2 Fr= 1--       2.919                  3.697                  3.221
 ROA2   Fr= 1--      -2.037                 -0.495                  1.921
 CID2   Fr= 1--      -0.698                 -0.134                  0.596
 Raman3 Fr= 1--       5.839                  7.394                  6.442
 ROA3   Fr= 1--     -74.069                -59.146                 32.979
 CID3   Fr= 1--     -12.686                 -8.000                  5.119
 RC180  Fr= 1--       0.139                  0.170                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02    -0.02  -0.04   0.01     0.02   0.00   0.00
     2   6     0.01  -0.02  -0.03    -0.02   0.08   0.03     0.01   0.02   0.00
     3   6     0.02   0.01   0.05    -0.00   0.01  -0.01    -0.01   0.00  -0.02
     4   6    -0.02  -0.05  -0.09    -0.01  -0.01  -0.04    -0.05  -0.01  -0.00
     5   8    -0.00   0.01   0.00     0.00  -0.02   0.02    -0.01  -0.01  -0.00
     6   6    -0.02  -0.03   0.03     0.01   0.08  -0.06    -0.06   0.02   0.05
     7   8     0.00  -0.00  -0.01     0.00   0.01   0.01    -0.01  -0.00   0.00
     8   1    -0.20   0.08   0.02     0.09  -0.09   0.01    -0.03  -0.16  -0.01
     9   8     0.00   0.00   0.01     0.00  -0.04  -0.01    -0.00  -0.01  -0.01
    10   1    -0.12   0.16  -0.03     0.53  -0.19   0.05     0.14  -0.13   0.01
    11   1    -0.12   0.54   0.06     0.08   0.32  -0.00     0.05  -0.11  -0.03
    12   8     0.02  -0.01  -0.01     0.01  -0.01   0.01    -0.01   0.00   0.00
    13   6     0.02   0.03   0.01     0.02   0.01   0.02    -0.02  -0.01  -0.02
    14   1     0.18  -0.02  -0.09    -0.04   0.02  -0.05     0.51   0.35   0.01
    15   8    -0.01  -0.00  -0.01     0.01  -0.01   0.02    -0.00  -0.01  -0.01
    16   1     0.13   0.10   0.03    -0.03  -0.31  -0.05     0.57  -0.23   0.07
    17   1    -0.00  -0.03  -0.02    -0.01  -0.09  -0.05     0.00   0.08   0.05
    18   1     0.04  -0.03   0.02    -0.33   0.22  -0.21    -0.05   0.03  -0.03
    19   1    -0.33  -0.16   0.16    -0.10  -0.05   0.05     0.08   0.04  -0.04
    20   8     0.00  -0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.01
    21   1    -0.37   0.01  -0.05    -0.16   0.01  -0.03     0.21  -0.01   0.03
    22   1     0.34   0.02  -0.00     0.07  -0.03   0.02     0.16   0.06  -0.04
    23   1     0.17   0.17  -0.00    -0.28  -0.30   0.01     0.14   0.13  -0.00
    24   1    -0.17  -0.03   0.08    -0.09  -0.02   0.05     0.09   0.01  -0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1337.3504              1346.4253              1354.5166
 Red. masses --      1.3344                 1.2478                 1.2898
 Frc consts  --      1.4061                 1.3328                 1.3942
 IR Inten    --     31.8658                34.6655                 1.3698
 RamAct Fr= 1--      0.8838                 2.6520                 1.9786
  Dep-P Fr= 1--      0.4375                 0.6307                 0.5714
  Dep-U Fr= 1--      0.6087                 0.7735                 0.7273
 Alpha2 Fr= 1--      0.0057                 0.0058                 0.0067
 Beta2  Fr= 1--      0.0897                 0.3419                 0.2398
 AlphaG Fr= 1--      0.0109                 0.0072                 0.0110
 Gamma2 Fr= 1--      0.2614                -0.3726                 0.1737
 Delta2 Fr= 1--      0.0276                 0.9007                 0.0552
 Raman1 Fr= 1--       3.535                 10.608                  7.914
 ROA1   Fr= 1--      25.973                 -6.946                 18.439
 CID1   Fr= 1--       7.347                 -0.655                  2.330
 Raman2 Fr= 1--       1.076                  4.103                  2.878
 ROA2   Fr= 1--       6.052                -16.148                  3.727
 CID2   Fr= 1--       5.624                 -3.936                  1.295
 Raman3 Fr= 1--       2.152                  8.205                  5.756
 ROA3   Fr= 1--      25.973                 -6.946                 18.439
 CID3   Fr= 1--      12.069                 -0.847                  3.204
 RC180  Fr= 1--       0.217                  0.547                  0.455
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.04    -0.08  -0.02  -0.04     0.01  -0.01   0.01
     2   6    -0.01  -0.01  -0.00    -0.05  -0.03   0.05     0.01  -0.03   0.00
     3   6    -0.03   0.05   0.04     0.00  -0.02  -0.00     0.03  -0.04  -0.04
     4   6    -0.07   0.05  -0.02     0.01  -0.03   0.00    -0.03  -0.08  -0.02
     5   8     0.02  -0.01   0.04     0.00   0.01  -0.01    -0.00  -0.00   0.04
     6   6     0.04   0.01  -0.04    -0.03  -0.01   0.02     0.05   0.01  -0.06
     7   8     0.02   0.01   0.02     0.02   0.01  -0.00    -0.01  -0.00  -0.01
     8   1    -0.02   0.04  -0.04     0.23   0.51   0.01     0.05   0.15   0.02
     9   8     0.00   0.01  -0.00     0.00   0.04  -0.03     0.00   0.00   0.01
    10   1    -0.03  -0.01  -0.01     0.26  -0.22   0.07    -0.19   0.19  -0.01
    11   1     0.26  -0.08   0.03     0.34   0.15  -0.00    -0.00   0.07  -0.05
    12   8     0.02  -0.01  -0.01    -0.01   0.00   0.02    -0.03   0.01   0.02
    13   6    -0.05  -0.04  -0.03     0.01   0.02   0.01    -0.02   0.02   0.01
    14   1     0.46  -0.17  -0.01    -0.08   0.10  -0.00     0.13   0.68  -0.01
    15   8     0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00   0.03
    16   1    -0.31   0.20  -0.05     0.21   0.04   0.03    -0.25   0.21  -0.07
    17   1    -0.02  -0.28  -0.16    -0.01  -0.25  -0.15     0.01   0.14   0.08
    18   1     0.07  -0.05   0.04     0.35  -0.23   0.22    -0.00   0.00  -0.01
    19   1    -0.24  -0.12   0.11     0.11   0.05  -0.05     0.27   0.14  -0.12
    20   8    -0.01   0.00   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    21   1     0.34  -0.03   0.06    -0.09   0.02  -0.02    -0.05   0.02  -0.03
    22   1     0.32   0.09  -0.05    -0.03  -0.03   0.01     0.23  -0.02   0.01
    23   1    -0.13  -0.12   0.01     0.02   0.03   0.00    -0.20  -0.21   0.01
    24   1     0.18   0.03  -0.11    -0.06  -0.01   0.04    -0.03  -0.01   0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1367.3402              1388.4756              1403.6213
 Red. masses --      1.2083                 1.3584                 1.4155
 Frc consts  --      1.3310                 1.5430                 1.6431
 IR Inten    --      5.4749                24.7013                 3.4643
 RamAct Fr= 1--      0.7085                 3.7885                 4.5438
  Dep-P Fr= 1--      0.6640                 0.6527                 0.7415
  Dep-U Fr= 1--      0.7981                 0.7899                 0.8515
 Alpha2 Fr= 1--      0.0011                 0.0066                 0.0007
 Beta2  Fr= 1--      0.0942                 0.4987                 0.6449
 AlphaG Fr= 1--      0.0011                 0.0003                -0.0018
 Gamma2 Fr= 1--      0.4629                -2.0536                 1.1906
 Delta2 Fr= 1--      0.2202                -1.0528                -0.0766
 Raman1 Fr= 1--       2.834                 15.154                 18.175
 ROA1   Fr= 1--      51.482               -230.834                111.849
 CID1   Fr= 1--      18.166                -15.233                  6.154
 Raman2 Fr= 1--       1.131                  5.985                  7.739
 ROA2   Fr= 1--       9.347                -40.863                 29.188
 CID2   Fr= 1--       8.266                 -6.828                  3.772
 Raman3 Fr= 1--       2.262                 11.970                 15.477
 ROA3   Fr= 1--      51.482               -230.834                111.849
 CID3   Fr= 1--      22.763                -19.285                  7.227
 RC180  Fr= 1--       0.596                  0.580                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.05  -0.04    -0.04   0.02  -0.01     0.01  -0.02   0.01
     2   6     0.04  -0.00  -0.02     0.02   0.07  -0.02    -0.03   0.09  -0.02
     3   6    -0.07  -0.01  -0.01     0.00  -0.04  -0.02     0.05  -0.01   0.00
     4   6    -0.00  -0.03   0.02     0.05  -0.02  -0.01    -0.08   0.01   0.01
     5   8    -0.00   0.01   0.00    -0.00   0.02  -0.01    -0.00   0.01   0.01
     6   6     0.00  -0.01   0.01     0.02  -0.06   0.07     0.04  -0.09   0.04
     7   8     0.01   0.01   0.03     0.00   0.00   0.01    -0.01  -0.01  -0.01
     8   1    -0.06  -0.44  -0.09     0.14  -0.23  -0.03    -0.04   0.08   0.02
     9   8    -0.00  -0.01   0.01     0.00  -0.01   0.00     0.00  -0.01  -0.00
    10   1    -0.25   0.01  -0.04     0.04  -0.35  -0.03     0.26  -0.39  -0.01
    11   1     0.66   0.17  -0.01     0.04   0.17  -0.02    -0.22  -0.01   0.00
    12   8    -0.01  -0.00   0.02    -0.01   0.01   0.01    -0.01   0.01  -0.00
    13   6     0.04   0.03  -0.00    -0.07  -0.03   0.01     0.05   0.03  -0.01
    14   1     0.09   0.13   0.02    -0.32   0.11  -0.02     0.41  -0.02   0.03
    15   8    -0.00  -0.00  -0.01    -0.01  -0.00  -0.04    -0.01   0.00  -0.01
    16   1    -0.07   0.02   0.01    -0.28   0.08   0.06    -0.29   0.38   0.03
    17   1    -0.01  -0.17  -0.10    -0.00  -0.08  -0.05     0.00   0.05   0.03
    18   1    -0.07   0.04  -0.04    -0.10   0.07  -0.07    -0.07   0.05  -0.05
    19   1     0.02   0.01  -0.01     0.14   0.07  -0.06     0.07   0.04  -0.04
    20   8     0.01  -0.01  -0.02    -0.01   0.02   0.02     0.01  -0.02  -0.01
    21   1    -0.09   0.02  -0.03     0.03  -0.03   0.03     0.02   0.04  -0.06
    22   1    -0.33  -0.06   0.02     0.48   0.04  -0.02    -0.35  -0.01   0.01
    23   1     0.05   0.05  -0.00     0.27   0.27  -0.02     0.14   0.15  -0.01
    24   1    -0.18  -0.04   0.10     0.27   0.06  -0.13    -0.27  -0.06   0.13
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.4196              1430.1880              1436.9663
 Red. masses --      1.6478                 1.2686                 1.5223
 Frc consts  --      1.9643                 1.5288                 1.8520
 IR Inten    --      4.7108                42.3640                 4.6173
 RamAct Fr= 1--      5.9471                 1.9128                 1.8042
  Dep-P Fr= 1--      0.7015                 0.7376                 0.6667
  Dep-U Fr= 1--      0.8246                 0.8490                 0.8000
 Alpha2 Fr= 1--      0.0050                 0.0004                 0.0027
 Beta2  Fr= 1--      0.8173                 0.2707                 0.2406
 AlphaG Fr= 1--     -0.0122                 0.0065                 0.0128
 Gamma2 Fr= 1--     -0.5707                 0.0921                 0.1826
 Delta2 Fr= 1--     -0.2013                 0.3395                 0.0701
 Raman1 Fr= 1--      23.788                  7.651                  7.217
 ROA1   Fr= 1--     -61.225                 19.709                 19.768
 CID1   Fr= 1--      -2.574                  2.576                  2.739
 Raman2 Fr= 1--       9.808                  3.248                  2.887
 ROA2   Fr= 1--     -12.085                 -0.505                  3.821
 CID2   Fr= 1--      -1.232                 -0.155                  1.324
 Raman3 Fr= 1--      19.616                  6.496                  5.773
 ROA3   Fr= 1--     -61.225                 19.709                 19.768
 CID3   Fr= 1--      -3.121                  3.034                  3.424
 RC180  Fr= 1--       0.649                  0.698                  0.600
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.05   0.02    -0.05   0.03   0.00     0.10   0.01   0.01
     2   6    -0.13  -0.04  -0.02     0.02   0.04  -0.02    -0.03  -0.01  -0.00
     3   6    -0.07   0.06  -0.00     0.02  -0.00  -0.00    -0.03  -0.14   0.00
     4   6     0.05  -0.06   0.01     0.02   0.01  -0.00    -0.01   0.10  -0.01
     5   8    -0.00   0.01   0.00    -0.00   0.01  -0.01     0.00  -0.01  -0.01
     6   6     0.02  -0.04   0.00    -0.06  -0.08  -0.04    -0.01  -0.01  -0.02
     7   8    -0.01  -0.01  -0.01     0.01   0.00   0.01    -0.03  -0.01  -0.02
     8   1    -0.35  -0.27  -0.02     0.11  -0.25  -0.02    -0.30   0.11   0.01
     9   8     0.01   0.02  -0.02     0.00  -0.01   0.01    -0.00  -0.00  -0.00
    10   1     0.60   0.04   0.04    -0.03  -0.07  -0.03     0.07   0.03   0.01
    11   1     0.18  -0.20  -0.01    -0.11   0.00  -0.00     0.27   0.50   0.01
    12   8     0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.03   0.02   0.02
    13   6    -0.01   0.00  -0.00     0.01  -0.01   0.00    -0.03  -0.02  -0.00
    14   1    -0.14   0.21   0.00    -0.08  -0.04  -0.01     0.00  -0.39  -0.00
    15   8     0.00   0.01   0.00     0.02   0.02   0.05     0.01   0.01   0.01
    16   1    -0.09   0.24  -0.01     0.50   0.65  -0.06     0.11   0.13  -0.02
    17   1     0.01   0.14   0.09    -0.00  -0.12  -0.07     0.01   0.26   0.14
    18   1     0.20  -0.13   0.13    -0.05   0.03  -0.04     0.01  -0.01   0.01
    19   1    -0.17  -0.09   0.08    -0.00  -0.00   0.00     0.30   0.15  -0.14
    20   8    -0.00   0.01   0.00    -0.01   0.01   0.00     0.00  -0.01   0.00
    21   1    -0.10  -0.02   0.04    -0.10  -0.02   0.02     0.29   0.02  -0.04
    22   1     0.05  -0.04   0.00    -0.00   0.02  -0.00     0.12   0.07  -0.01
    23   1    -0.02  -0.02   0.00    -0.28  -0.27   0.03    -0.08  -0.09   0.01
    24   1     0.08   0.02  -0.04     0.12   0.03  -0.06    -0.03  -0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1444.9234              1450.0553              1515.6148
 Red. masses --      1.5176                 1.3562                 1.0892
 Frc consts  --      1.8668                 1.6801                 1.4742
 IR Inten    --      4.6049                99.4391                 1.1354
 RamAct Fr= 1--      3.3586                 2.9410                 5.0651
  Dep-P Fr= 1--      0.6776                 0.3479                 0.7199
  Dep-U Fr= 1--      0.8078                 0.5162                 0.8371
 Alpha2 Fr= 1--      0.0043                 0.0260                 0.0026
 Beta2  Fr= 1--      0.4522                 0.2530                 0.7067
 AlphaG Fr= 1--      0.0032                 0.0225                -0.0015
 Gamma2 Fr= 1--      0.1374                -0.7886                -0.1330
 Delta2 Fr= 1--      0.2270                -0.4666                 0.0115
 Raman1 Fr= 1--      13.434                 11.764                 20.260
 ROA1   Fr= 1--      20.451                -90.634                -12.400
 CID1   Fr= 1--       1.522                 -7.704                 -0.612
 Raman2 Fr= 1--       5.426                  3.036                  8.480
 ROA2   Fr= 1--       1.481                -15.193                 -3.283
 CID2   Fr= 1--       0.273                 -5.004                 -0.387
 Raman3 Fr= 1--      10.853                  6.072                 16.960
 ROA3   Fr= 1--      20.451                -90.634                -12.400
 CID3   Fr= 1--       1.884                -14.926                 -0.731
 RC180  Fr= 1--       0.616                  0.032                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.11  -0.01    -0.01   0.03   0.00    -0.00   0.00   0.00
     2   6     0.05   0.09   0.01    -0.02  -0.03   0.00    -0.00  -0.00  -0.00
     3   6    -0.09   0.06   0.01     0.03  -0.05  -0.00     0.01  -0.01  -0.00
     4   6     0.02  -0.02   0.00    -0.07   0.02  -0.01    -0.01   0.01  -0.00
     5   8    -0.00   0.01  -0.00     0.01  -0.01   0.01    -0.00  -0.00   0.00
     6   6    -0.01  -0.03   0.00     0.02   0.02  -0.00     0.00  -0.00   0.00
     7   8    -0.02  -0.01  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.21   0.56   0.04     0.01  -0.10  -0.01     0.01  -0.01   0.00
     9   8    -0.01  -0.03   0.01     0.00   0.01  -0.01     0.00   0.00  -0.00
    10   1    -0.25  -0.24  -0.03     0.09   0.08   0.01     0.00   0.00   0.00
    11   1     0.34  -0.13   0.00    -0.05   0.14   0.00    -0.03   0.04  -0.00
    12   8     0.02  -0.01  -0.00    -0.02   0.01   0.01    -0.00   0.00   0.00
    13   6     0.03  -0.03  -0.01     0.09  -0.07  -0.01    -0.01   0.06  -0.05
    14   1    -0.04   0.05   0.00     0.21  -0.07  -0.00     0.04  -0.04  -0.00
    15   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   1     0.08   0.11   0.00    -0.11  -0.09   0.00     0.00   0.00   0.00
    17   1     0.01   0.20   0.12     0.00  -0.02  -0.01    -0.00   0.00   0.00
    18   1    -0.22   0.14  -0.13     0.08  -0.05   0.04     0.00  -0.00   0.00
    19   1    -0.11  -0.06   0.06     0.16   0.08  -0.06     0.02   0.01  -0.01
    20   8    -0.02   0.02   0.01    -0.04   0.05   0.02     0.00   0.00  -0.00
    21   1    -0.23  -0.08   0.10    -0.52  -0.16   0.12     0.01  -0.13   0.70
    22   1    -0.07  -0.02  -0.00    -0.24   0.08  -0.02     0.06  -0.69   0.04
    23   1    -0.01  -0.00   0.00     0.02   0.02  -0.00     0.00  -0.00   0.00
    24   1     0.26   0.07  -0.13     0.58   0.15  -0.29    -0.02   0.00   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2976.0150              2979.0203              2987.5053
 Red. masses --      1.0811                 1.0725                 1.0800
 Frc consts  --      5.6414                 5.6080                 5.6795
 IR Inten    --      7.2280                31.0814                 2.4421
 RamAct Fr= 1--     66.5351               139.5021               191.1031
  Dep-P Fr= 1--      0.1693                 0.1231                 0.1634
  Dep-U Fr= 1--      0.2896                 0.2193                 0.2809
 Alpha2 Fr= 1--      0.9790                 2.3071                 2.8551
 Beta2  Fr= 1--      3.2111                 5.0977                 8.9463
 AlphaG Fr= 1--      0.0985                 0.6486                 0.1105
 Gamma2 Fr= 1--      2.6339                 4.4389                -3.8992
 Delta2 Fr= 1--      0.7293                 2.5562                -2.1512
 Raman1 Fr= 1--     266.140                558.008                764.413
 ROA1   Fr= 1--     276.189                507.937               -443.162
 CID1   Fr= 1--       1.038                  0.910                 -0.580
 Raman2 Fr= 1--      38.534                 61.173                107.356
 ROA2   Fr= 1--      57.378                 86.085                -76.372
 CID2   Fr= 1--       1.489                  1.407                 -0.711
 Raman3 Fr= 1--      77.067                122.345                214.711
 ROA3   Fr= 1--     276.189                507.937               -443.162
 CID3   Fr= 1--       3.584                  4.152                 -2.064
 RC180  Fr= 1--      -0.421                 -0.561                 -0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.02     0.00   0.00  -0.01     0.00  -0.01   0.05
     2   6     0.01   0.00  -0.08     0.00   0.00  -0.01     0.00   0.00  -0.00
     3   6     0.00   0.00   0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.06
     4   6    -0.00  -0.00  -0.01     0.00  -0.00   0.03    -0.00   0.00   0.03
     5   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.01
     7   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00   0.02  -0.24    -0.00  -0.01   0.09     0.01   0.05  -0.59
     9   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   1    -0.07  -0.03   0.92    -0.01  -0.00   0.13    -0.00  -0.00   0.05
    11   1    -0.00   0.00  -0.18    -0.00   0.00  -0.13     0.00  -0.01   0.72
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00   0.01    -0.01   0.00  -0.07    -0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.13     0.01   0.00  -0.32     0.01   0.00  -0.33
    15   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00  -0.16    -0.00   0.00  -0.02    -0.00   0.00   0.10
    17   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    18   1    -0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   1    -0.00   0.01   0.00     0.01  -0.15  -0.05     0.00   0.00   0.00
    22   1    -0.00  -0.01  -0.10     0.02   0.10   0.90     0.00   0.00   0.05
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2994.5604              3007.4540              3018.5284
 Red. masses --      1.0825                 1.0849                 1.0863
 Frc consts  --      5.7191                 5.7815                 5.8318
 IR Inten    --      2.1779                27.6451               130.2110
 RamAct Fr= 1--     13.5517                34.7337                45.1512
  Dep-P Fr= 1--      0.4126                 0.1612                 0.1864
  Dep-U Fr= 1--      0.5842                 0.2776                 0.3143
 Alpha2 Fr= 1--      0.0959                 0.5218                 0.6355
 Beta2  Fr= 1--      1.3195                 1.6072                 2.3649
 AlphaG Fr= 1--      0.0282                -0.4583                -0.5398
 Gamma2 Fr= 1--     -0.5552                 1.9762                -3.2266
 Delta2 Fr= 1--     -2.4842                 2.7738                 0.3518
 Raman1 Fr= 1--      54.207                138.935                180.605
 ROA1   Fr= 1--    -132.789                278.479               -298.494
 CID1   Fr= 1--      -2.450                  2.004                 -1.653
 Raman2 Fr= 1--      15.834                 19.287                 28.379
 ROA2   Fr= 1--       6.549                 25.239                -80.252
 CID2   Fr= 1--       0.414                  1.309                 -2.828
 Raman3 Fr= 1--      31.667                 38.574                 56.758
 ROA3   Fr= 1--    -132.789                278.479               -298.494
 CID3   Fr= 1--      -4.193                  7.219                 -5.259
 RC180  Fr= 1--       0.168                 -0.445                 -0.371
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.05    -0.00  -0.00   0.02     0.00   0.00  -0.03
     2   6    -0.00  -0.00   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.02
     3   6     0.00   0.00   0.02     0.00  -0.00   0.04    -0.00   0.00  -0.03
     4   6     0.00  -0.00  -0.05    -0.00   0.00   0.04     0.00   0.00  -0.03
     5   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.05     0.00  -0.00  -0.06
     7   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1     0.01   0.05  -0.59    -0.00   0.02  -0.27    -0.01  -0.04   0.39
     9   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   1     0.02   0.01  -0.23     0.00   0.00  -0.02    -0.02  -0.01   0.26
    11   1    -0.01   0.01  -0.22    -0.00   0.01  -0.52     0.01  -0.00   0.32
    12   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.02     0.00  -0.00   0.02    -0.00   0.00  -0.01
    14   1    -0.02  -0.01   0.65     0.01  -0.00  -0.50    -0.02  -0.00   0.30
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.00   0.00   0.18    -0.01   0.01   0.60    -0.01   0.02   0.75
    17   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    21   1     0.00  -0.08  -0.03    -0.00   0.07   0.02     0.00  -0.04  -0.01
    22   1     0.01   0.03   0.28    -0.01  -0.02  -0.20     0.01   0.01   0.09
    23   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.01  -0.01  -0.01
    24   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3092.0572              3736.4656              3760.0278
 Red. masses --      1.0924                 1.0659                 1.0650
 Frc consts  --      6.1535                 8.7680                 8.8709
 IR Inten    --     24.3998               119.5738                38.4894
 RamAct Fr= 1--    106.6991                51.1562                64.3299
  Dep-P Fr= 1--      0.2983                 0.1075                 0.1529
  Dep-U Fr= 1--      0.4596                 0.1941                 0.2652
 Alpha2 Fr= 1--      1.0998                 0.8794                 0.9872
 Beta2  Fr= 1--      8.1725                 1.6547                 2.8436
 AlphaG Fr= 1--     -0.6607                -0.0473                -0.0692
 Gamma2 Fr= 1--     -6.0305                -1.1894                -2.5547
 Delta2 Fr= 1--     -2.2033                -0.3659                -0.9761
 Raman1 Fr= 1--     426.796                204.625                257.320
 ROA1   Fr= 1--    -649.436               -125.893               -276.490
 CID1   Fr= 1--      -1.522                 -0.615                 -1.074
 Raman2 Fr= 1--      98.070                 19.856                 34.123
 ROA2   Fr= 1--    -127.106                -25.619                -53.505
 CID2   Fr= 1--      -1.296                 -1.290                 -1.568
 Raman3 Fr= 1--     196.141                 39.713                 68.246
 ROA3   Fr= 1--    -649.436               -125.893               -276.490
 CID3   Fr= 1--      -3.311                 -3.170                 -4.051
 RC180  Fr= 1--      -0.081                 -0.612                 -0.470
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   8     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    13   6     0.01  -0.08  -0.03     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1     0.00   0.00   0.05    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.06
    16   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.01
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    18   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.04  -0.04   0.01
    19   1     0.00  -0.00  -0.00    -0.03   0.09   0.02     0.00  -0.00  -0.00
    20   8    -0.00   0.00   0.00     0.01  -0.06  -0.00    -0.00  -0.00  -0.00
    21   1    -0.08   0.95   0.23     0.00   0.02   0.00    -0.00   0.00   0.00
    22   1     0.01   0.00   0.16     0.00   0.00  -0.01    -0.00  -0.00  -0.00
    23   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.12  -0.17   0.97
    24   1     0.01  -0.02  -0.01    -0.13   0.98   0.06     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3777.3655              3779.8882              3792.9608
 Red. masses --      1.0658                 1.0658                 1.0660
 Frc consts  --      8.9602                 8.9720                 9.0360
 IR Inten    --     45.7416                49.4016                60.3985
 RamAct Fr= 1--     58.1609                69.9525                82.4565
  Dep-P Fr= 1--      0.1766                 0.2095                 0.1773
  Dep-U Fr= 1--      0.3002                 0.3464                 0.3012
 Alpha2 Fr= 1--      0.8398                 0.9263                 1.1885
 Beta2  Fr= 1--      2.9097                 4.0386                 4.1390
 AlphaG Fr= 1--     -0.2952                -0.2453                 0.3679
 Gamma2 Fr= 1--     -1.7371                 0.7307                 1.9205
 Delta2 Fr= 1--      1.0531                 1.9616                -0.3733
 Raman1 Fr= 1--     232.644                279.810                329.826
 ROA1   Fr= 1--    -133.057                132.918                172.422
 CID1   Fr= 1--      -0.572                  0.475                  0.523
 Raman2 Fr= 1--      34.916                 48.464                 49.668
 ROA2   Fr= 1--     -50.114                  1.844                 49.078
 CID2   Fr= 1--      -1.435                  0.038                  0.988
 Raman3 Fr= 1--      69.832                 96.927                 99.336
 ROA3   Fr= 1--    -133.057                132.918                172.422
 CID3   Fr= 1--      -1.905                  1.371                  1.736
 RC180  Fr= 1--      -0.400                 -0.307                 -0.398
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.06   0.02  -0.02
     8   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   8     0.00   0.00  -0.00    -0.04  -0.05   0.01    -0.00  -0.00   0.00
    10   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   8     0.02  -0.06  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   1     0.01  -0.01   0.00    -0.03   0.01  -0.01     0.92  -0.28   0.27
    18   1    -0.00  -0.00   0.00     0.66   0.73  -0.15     0.02   0.02  -0.01
    19   1    -0.29   0.92   0.22    -0.00   0.00   0.00     0.00  -0.01  -0.00
    20   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00  -0.00   0.00     0.01  -0.01   0.05    -0.00   0.00  -0.01
    24   1     0.01  -0.10  -0.01    -0.00   0.00   0.00    -0.00   0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1376.673832454.181313661.00849
           X            0.99998  -0.00613   0.00178
           Y            0.00614   0.99997  -0.00485
           Z           -0.00175   0.00486   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06292     0.03529     0.02366
 Rotational constants (GHZ):           1.31094     0.73537     0.49296
 Zero-point vibrational energy     517141.2 (Joules/Mol)
                                  123.59972 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     97.63   153.77   170.52   236.73   301.94
          (Kelvin)            332.60   358.12   408.01   427.25   475.28
                              486.02   535.68   565.68   573.06   581.31
                              605.62   642.19   689.12   720.36   793.27
                              860.82   891.98   958.15  1294.35  1435.48
                             1453.70  1472.46  1509.95  1553.43  1568.83
                             1581.63  1588.58  1603.18  1610.14  1634.72
                             1670.01  1710.91  1767.29  1797.65  1833.12
                             1842.39  1880.47  1924.15  1937.21  1948.85
                             1967.30  1997.71  2019.50  2046.54  2057.72
                             2067.47  2078.92  2086.31  2180.63  4281.82
                             4286.15  4298.35  4308.50  4327.06  4342.99
                             4448.78  5375.94  5409.84  5434.79  5438.42
                             5457.22
 
 Zero-point correction=                           0.196969 (Hartree/Particle)
 Thermal correction to Energy=                    0.209276
 Thermal correction to Enthalpy=                  0.210221
 Thermal correction to Gibbs Free Energy=         0.159487
 Sum of electronic and zero-point Energies=           -687.312263
 Sum of electronic and thermal Energies=              -687.299956
 Sum of electronic and thermal Enthalpies=            -687.299012
 Sum of electronic and thermal Free Energies=         -687.349745
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  131.323             47.395            106.779
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.893
 Vibrational            129.546             41.433             34.415
 Vibration     1          0.598              1.970              4.215
 Vibration     2          0.606              1.944              3.325
 Vibration     3          0.609              1.934              3.124
 Vibration     4          0.623              1.886              2.497
 Vibration     5          0.642              1.826              2.045
 Vibration     6          0.653              1.793              1.870
 Vibration     7          0.662              1.765              1.738
 Vibration     8          0.682              1.704              1.512
 Vibration     9          0.691              1.679              1.434
 Vibration    10          0.713              1.615              1.258
 Vibration    11          0.718              1.600              1.223
 Vibration    12          0.744              1.529              1.070
 Vibration    13          0.760              1.485              0.988
 Vibration    14          0.765              1.474              0.969
 Vibration    15          0.769              1.461              0.948
 Vibration    16          0.783              1.425              0.889
 Vibration    17          0.806              1.369              0.807
 Vibration    18          0.835              1.297              0.713
 Vibration    19          0.856              1.249              0.656
 Vibration    20          0.907              1.137              0.541
 Vibration    21          0.956              1.035              0.453
 Vibration    22          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.437799D-73        -73.358726       -168.914708
 Total V=0       0.173981D+18         17.240501         39.697720
 Vib (Bot)       0.366157D-87        -87.436332       -201.329595
 Vib (Bot)    1  0.304036D+01          0.482925          1.111975
 Vib (Bot)    2  0.191756D+01          0.282749          0.651054
 Vib (Bot)    3  0.172489D+01          0.236761          0.545163
 Vib (Bot)    4  0.122694D+01          0.088824          0.204525
 Vib (Bot)    5  0.946486D+00         -0.023886         -0.054999
 Vib (Bot)    6  0.851576D+00         -0.069777         -0.160667
 Vib (Bot)    7  0.784521D+00         -0.105395         -0.242682
 Vib (Bot)    8  0.676684D+00         -0.169614         -0.390551
 Vib (Bot)    9  0.641523D+00         -0.192788         -0.443911
 Vib (Bot)   10  0.565501D+00         -0.247567         -0.570044
 Vib (Bot)   11  0.550452D+00         -0.259281         -0.597016
 Vib (Bot)   12  0.488218D+00         -0.311386         -0.716993
 Vib (Bot)   13  0.455586D+00         -0.341430         -0.786172
 Vib (Bot)   14  0.448058D+00         -0.348666         -0.802833
 Vib (Bot)   15  0.439843D+00         -0.356703         -0.821338
 Vib (Bot)   16  0.416851D+00         -0.380019         -0.875027
 Vib (Bot)   17  0.385339D+00         -0.414157         -0.953631
 Vib (Bot)   18  0.349494D+00         -0.456561         -1.051270
 Vib (Bot)   19  0.328066D+00         -0.484038         -1.114539
 Vib (Bot)   20  0.284262D+00         -0.546281         -1.257859
 Vib (Bot)   21  0.250008D+00         -0.602045         -1.386261
 Vib (Bot)   22  0.235897D+00         -0.627278         -1.444360
 Vib (V=0)       0.145510D+04          3.162894          7.282832
 Vib (V=0)    1  0.358120D+01          0.554028          1.275697
 Vib (V=0)    2  0.248168D+01          0.394745          0.908934
 Vib (V=0)    3  0.229590D+01          0.360952          0.831124
 Vib (V=0)    4  0.182491D+01          0.261242          0.601531
 Vib (V=0)    5  0.157044D+01          0.196021          0.451354
 Vib (V=0)    6  0.148751D+01          0.172461          0.397105
 Vib (V=0)    7  0.143031D+01          0.155430          0.357890
 Vib (V=0)    8  0.134137D+01          0.127548          0.293690
 Vib (V=0)    9  0.131336D+01          0.118383          0.272587
 Vib (V=0)   10  0.125485D+01          0.098590          0.227012
 Vib (V=0)   11  0.124364D+01          0.094694          0.218041
 Vib (V=0)   12  0.119883D+01          0.078756          0.181342
 Vib (V=0)   13  0.117643D+01          0.070566          0.162485
 Vib (V=0)   14  0.117138D+01          0.068699          0.158185
 Vib (V=0)   15  0.116593D+01          0.066672          0.153518
 Vib (V=0)   16  0.115097D+01          0.061065          0.140607
 Vib (V=0)   17  0.113126D+01          0.053562          0.123330
 Vib (V=0)   18  0.111004D+01          0.045338          0.104394
 Vib (V=0)   19  0.109802D+01          0.040610          0.093508
 Vib (V=0)   20  0.107516D+01          0.031472          0.072466
 Vib (V=0)   21  0.105902D+01          0.024904          0.057345
 Vib (V=0)   22  0.105285D+01          0.022368          0.051504
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.125897D+07          6.100015         14.045803
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333                   3332222                                    11111111111111111111111111111                                  
   77777                   0009999                                    544444433333322221111110000009  9    6655544443333322222 111   
   98763                   9109877                                    154332086543087428631109984219  0    6295074209973398431 6106  
   30706                   2975896                                    605702487567714989169449009308  0    6081196148328074910 5978  
 
   XXXXX                   XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX  X    XXXXXXXXXXXXXXXXXXX XXXX  
   XXXXX                   XXX  X                                      X  X  X  XX XX   X XXXXX XXXX       X  XX X XX X X X          
   XXXXX                    XX  X                                      X  X     XX X    X XXXXX X XX          XX   XX X X            
   XXXXX                    X                                          X  X        X    X XXXXX   XX           X   XX X X            
   XX  X                    X                                          X           X      XXXXX    X           X   XX X X            
   X   X                    X                                          X           X      XXXXX    X           X   XX X              
       X                    X                                          X           X      X XXX    X           X   XX X              
       X                    X                                          X                  X XXX    X           X   XX X              
       X                    X                                          X                  X XXX    X           X   X                 
       X                    X                                                             X  XX    X           X   X                 
       X                    X                                                             X  XX    X           X   X                 
                            X                                                             X  XX    X           X   X                 
                                                                                             XX                X   X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                                      
                                                                                              X                                      
                                                                                              X                                      
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000010123    0.000039524    0.000009867
      2        6          -0.000043983    0.000004406   -0.000021617
      3        6           0.000012114   -0.000013939   -0.000005191
      4        6           0.000044431    0.000051519   -0.000012009
      5        8          -0.000062337   -0.000030079    0.000007063
      6        6           0.000053374   -0.000000236    0.000015720
      7        8           0.000003876   -0.000020702   -0.000011640
      8        1          -0.000000883   -0.000001263   -0.000008741
      9        8           0.000027652   -0.000011234    0.000007127
     10        1           0.000001535   -0.000001794    0.000007019
     11        1          -0.000003177    0.000003701    0.000004390
     12        8          -0.000009518   -0.000005354   -0.000004296
     13        6           0.000000173   -0.000002943   -0.000000821
     14        1          -0.000004902   -0.000006538    0.000004942
     15        8          -0.000020858   -0.000013476    0.000008050
     16        1          -0.000001748   -0.000003312   -0.000002872
     17        1           0.000001416   -0.000003521   -0.000001196
     18        1           0.000001339   -0.000000168    0.000000083
     19        1           0.000001935   -0.000000762    0.000001211
     20        8          -0.000001702    0.000003951   -0.000000599
     21        1           0.000002953    0.000001151    0.000003038
     22        1           0.000002687    0.000005495   -0.000000024
     23        1           0.000004179    0.000001510   -0.000005942
     24        1           0.000001566    0.000004065    0.000006439
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000062337 RMS     0.000016714
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.112532D+03  0.892261D+00 -0.253400D+00
      2   0.892261D+00  0.101200D+03 -0.159153D+01
      3  -0.253400D+00 -0.159153D+01  0.852548D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.148304D+01 -0.427890D+01  0.642407D+01
      2  -0.368518D+01 -0.189242D+00  0.516221D+01
      3  -0.597090D+01 -0.109857D+02  0.135437D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.293630D+02 -0.121984D+02 -0.171453D+02
      2  -0.237476D+02  0.125980D+02  0.111367D+02
      3  -0.561539D+01 -0.399643D+00  0.600865D+01
      4  -0.206975D+02 -0.711173D+01 -0.131136D+01
      5  -0.802188D+01 -0.283944D+01  0.873769D+01
      6  -0.407438D+00  0.132163D+02 -0.119222D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.284836D+01  0.220204D+01 -0.890730D+00  0.177837D+01  0.214325D+01
      2   0.220204D+01  0.187351D+01  0.187542D+00  0.214325D+01 -0.288733D+01
      3  -0.890730D+00  0.187542D+00 -0.603464D+00  0.227718D+00 -0.121845D+01
                 6             7             8             9            10 
      1   0.227718D+00 -0.108577D+01  0.455004D+00 -0.413870D+00  0.246537D+01
      2  -0.121845D+01  0.455004D+00 -0.197101D+01 -0.686247D+00 -0.162177D+01
      3   0.874105D+00 -0.413870D+00 -0.686247D+00  0.837897D+01  0.118493D+01
                11            12            13            14            15 
      1  -0.162177D+01  0.118493D+01 -0.235196D+01 -0.230031D+01 -0.510428D+00
      2  -0.185506D+01 -0.286203D+00 -0.230031D+01  0.201510D+01  0.883536D+00
      3  -0.286203D+00 -0.121899D+01 -0.510428D+00  0.883536D+00  0.123685D+01
                16            17            18            19            20 
      1   0.173171D+01 -0.602493D+00  0.405525D+00  0.172701D+01 -0.218028D+01
      2  -0.602493D+00  0.102677D+01  0.465072D+00 -0.218028D+01 -0.176834D+01
      3   0.405525D+00  0.465072D+00 -0.884511D+01  0.995639D+00  0.561744D-01
                21            22            23            24            25 
      1   0.995639D+00 -0.312698D+01 -0.256685D+01  0.676818D-01  0.166260D+01
      2   0.561744D-01 -0.256685D+01  0.267988D+01  0.945932D+00  0.140503D+00
      3   0.975852D+00  0.676818D-01  0.945932D+00  0.135290D+01  0.104014D+00
                26            27            28            29            30 
      1   0.140503D+00  0.104014D+00 -0.101547D+01  0.323066D+01 -0.122863D+01
      2   0.162445D+01  0.483187D+00  0.323066D+01  0.119503D+01  0.145051D+00
      3   0.483187D+00 -0.806805D+01 -0.122863D+01  0.145051D+00 -0.107456D+01
                31            32            33            34            35 
      1   0.337387D+01  0.254628D+01  0.182666D+00 -0.138659D+01  0.311501D+00
      2   0.254628D+01 -0.367267D+01 -0.103997D+01  0.311501D+00 -0.153690D+01
      3   0.182666D+00 -0.103997D+01 -0.817351D+00 -0.533692D+00  0.306240D-01
                36            37            38            39            40 
      1  -0.533692D+00  0.255878D+01 -0.274129D+01  0.729812D+00 -0.406040D+01
      2   0.306240D-01 -0.274129D+01 -0.193452D+00 -0.467627D+00 -0.968068D+00
      3   0.851744D+01  0.729812D+00 -0.467627D+00  0.111024D+00 -0.112311D+00
                41            42            43            44            45 
      1  -0.968068D+00 -0.112311D+00  0.290295D+01  0.247188D+00  0.222980D+00
      2  -0.315528D+01  0.101773D+01  0.247188D+00  0.121577D+01 -0.842158D+00
      3   0.101773D+01  0.632746D+00  0.222980D+00 -0.842158D+00 -0.126998D+01
                46            47            48            49            50 
      1  -0.389009D+01  0.520288D+00 -0.414505D+00  0.262290D+01  0.217887D+01
      2   0.520288D+00  0.195559D+01  0.738483D+00  0.217887D+01 -0.213482D+01
      3  -0.414505D+00  0.738483D+00 -0.324590D+00  0.121969D+00 -0.787987D+00
                51            52            53            54            55 
      1   0.121969D+00 -0.146456D+01  0.269695D+00  0.128541D+00  0.409919D+01
      2  -0.787987D+00  0.269695D+00 -0.119255D+01  0.943000D-01 -0.788284D+00
      3  -0.212275D+01  0.128541D+00  0.943000D-01  0.854527D+01  0.132102D+01
                56            57            58            59            60 
      1  -0.788284D+00  0.132102D+01 -0.295942D+00 -0.274051D+00 -0.270067D+00
      2   0.167959D+01 -0.148030D+00 -0.274051D+00  0.780862D+01  0.144331D+01
      3  -0.148030D+00  0.844699D+00 -0.270067D+00  0.144331D+01 -0.309371D+00
                61            62            63            64            65 
      1   0.197856D+01 -0.101576D+01  0.480525D-01  0.466442D+00 -0.275215D+00
      2  -0.101576D+01  0.320792D+01  0.167690D+01 -0.275215D+00 -0.331283D+00
      3   0.480525D-01  0.167690D+01  0.309723D+00 -0.979682D+00 -0.116781D-01
                66            67            68            69            70 
      1  -0.979682D+00 -0.197225D+00 -0.356044D+00  0.266361D-01 -0.159414D+01
      2  -0.116781D-01 -0.356044D+00  0.819471D+00 -0.113999D+01  0.111819D+00
      3   0.160796D+00  0.266361D-01 -0.113999D+01  0.303609D+00 -0.376718D-01
                71            72            73            74            75 
      1   0.111819D+00 -0.376718D-01 -0.421007D+01  0.323645D+01 -0.119836D+01
      2  -0.184294D+01  0.925026D+00  0.323645D+01  0.818918D+00 -0.589853D-01
      3   0.925026D+00 -0.771565D+01 -0.119836D+01 -0.589853D-01  0.941662D+00
                76            77            78            79            80 
      1   0.609446D+01 -0.328838D+00  0.361428D+00 -0.300271D+01  0.185458D+00
      2  -0.328838D+00  0.331502D+01 -0.960719D+00  0.185458D+00 -0.106244D+01
      3   0.361428D+00 -0.960719D+00  0.517108D+00 -0.144000D+01  0.535924D+00
                81            82            83            84            85 
      1  -0.144000D+01 -0.736854D+00  0.315338D+00  0.114239D+01  0.249559D+00
      2   0.535924D+00  0.315338D+00  0.259781D+00  0.406237D-01  0.229096D+00
      3  -0.204897D+00  0.114239D+01  0.406237D-01 -0.255722D+00  0.785524D-01
                86            87            88            89            90 
      1   0.229096D+00  0.785524D-01  0.201680D+01  0.101058D+00 -0.889642D+00
      2  -0.495839D+00  0.107956D+01  0.101058D+00  0.148214D+01 -0.269781D+00
      3   0.107956D+01 -0.555534D+00 -0.889642D+00 -0.269781D+00  0.799827D+01
                91            92            93            94            95 
      1  -0.215897D+00  0.221954D+00  0.107026D+01  0.270030D+00  0.461074D+00
      2   0.221954D+00  0.406168D+00  0.696709D-01  0.461074D+00 -0.420033D+00
      3   0.107026D+01  0.696709D-01 -0.103423D+00  0.653304D-01  0.954934D+00
                96            97            98            99           100 
      1   0.653304D-01  0.176279D+01  0.502200D-01  0.346513D+00  0.600501D+01
      2   0.954934D+00  0.502200D-01  0.157545D+01  0.230207D+00  0.208157D+01
      3  -0.297174D+00  0.346513D+00  0.230207D+00  0.760135D+01 -0.887354D+00
               101           102           103           104           105 
      1   0.208157D+01 -0.887354D+00  0.103542D+01  0.313097D+01  0.100669D+00
      2   0.361299D+01  0.112689D+00  0.313097D+01 -0.256539D+01 -0.102224D+01
      3   0.112689D+00 -0.166183D+00  0.100669D+00 -0.102224D+01 -0.891438D+00
               106           107           108           109           110 
      1  -0.182819D+01 -0.481156D+00  0.114260D+01  0.209712D+01 -0.305143D+01
      2  -0.481156D+00 -0.218269D+01  0.581089D+00 -0.305143D+01  0.639594D+00
      3   0.114260D+01  0.581089D+00 -0.138937D+00  0.193028D+01 -0.401443D+00
               111           112           113           114           115 
      1   0.193028D+01 -0.254271D+01 -0.178062D+01 -0.535620D-01  0.274949D+01
      2  -0.401443D+00 -0.178062D+01  0.701046D+01  0.150225D+01 -0.816924D-01
      3   0.137802D+01 -0.535620D-01  0.150225D+01 -0.233363D+00 -0.297620D+00
               116           117           118           119           120 
      1  -0.816924D-01 -0.297620D+00  0.911368D+00 -0.584961D+00 -0.109505D+01
      2   0.146709D+01  0.663831D+00 -0.584961D+00 -0.252343D-01 -0.361820D-01
      3   0.663831D+00 -0.823629D+01 -0.109505D+01 -0.361820D-01  0.704594D+00
               121           122           123           124           125 
      1  -0.593826D+00 -0.512324D-01 -0.759076D-01 -0.223777D+01 -0.103895D+00
      2  -0.512324D-01  0.225702D+00 -0.101256D+01 -0.103895D+00 -0.131117D+01
      3  -0.759076D-01 -0.101256D+01 -0.487493D-01  0.900919D+00 -0.483310D+00
               126           127           128           129           130 
      1   0.900919D+00 -0.420540D+01 -0.264435D+01  0.146041D+00 -0.263770D+01
      2  -0.483310D+00 -0.264435D+01 -0.279080D+01  0.491131D-01 -0.292479D+01
      3  -0.770167D+01  0.146041D+00  0.491131D-01  0.237732D-02 -0.305420D+00
               131           132           133           134           135 
      1  -0.292479D+01 -0.305420D+00 -0.618092D+00 -0.755425D+00 -0.191179D+00
      2  -0.520135D+01 -0.368930D+00 -0.755425D+00 -0.162437D+01  0.720860D+00
      3  -0.368930D+00  0.118873D+01 -0.191179D+00  0.720860D+00 -0.514826D+01
               136           137           138           139           140 
      1   0.775047D-01 -0.377477D+00 -0.119891D+01 -0.375340D+00 -0.551372D+00
      2  -0.377477D+00 -0.418924D+00 -0.751248D-01 -0.551372D+00 -0.357390D+00
      3  -0.119891D+01 -0.751248D-01 -0.242512D+00  0.367768D-01 -0.100934D+01
               141           142           143           144           145 
      1   0.367768D-01 -0.213781D+01 -0.338056D+00 -0.943304D+00 -0.550787D+01
      2  -0.100934D+01 -0.338056D+00 -0.153446D+01 -0.119084D+01  0.301651D+01
      3  -0.130801D+00 -0.943304D+00 -0.119084D+01 -0.805389D+01 -0.512872D+00
               146           147           148           149           150 
      1   0.301651D+01 -0.512872D+00  0.207974D+01 -0.170932D+01  0.144651D+00
      2  -0.339321D+01  0.518645D-01 -0.170932D+01  0.228687D+01 -0.270928D+00
      3   0.518645D-01 -0.105457D+01  0.144651D+00 -0.270928D+00  0.622071D+00
               151           152           153           154           155 
      1  -0.119041D+01  0.607835D+00 -0.735847D+00 -0.603766D+01 -0.200583D+01
      2   0.607835D+00 -0.962990D+00  0.671018D+00 -0.200583D+01 -0.182188D+01
      3  -0.735847D+00  0.671018D+00 -0.172243D+00  0.282587D-01  0.312528D-01
               156           157           158           159           160 
      1   0.282587D-01 -0.420492D+01 -0.183557D+01 -0.183247D+00  0.815064D+00
      2   0.312528D-01 -0.183557D+01 -0.239436D+01  0.227364D+00  0.163270D+00
      3  -0.953310D+00 -0.183247D+00  0.227364D+00 -0.623702D+00 -0.877604D+00
               161           162           163           164           165 
      1   0.163270D+00 -0.877604D+00 -0.455406D+00  0.592027D+00  0.217112D+00
      2   0.388065D+00 -0.248145D+00  0.592027D+00 -0.109034D+01 -0.449822D-01
      3  -0.248145D+00 -0.498941D-01  0.217112D+00 -0.449822D-01  0.377713D-01
               166           167           168           169           170 
      1   0.186836D+01  0.414979D+00 -0.109879D+00  0.476808D+00 -0.103715D-02
      2   0.414979D+00  0.781132D+01  0.493217D+00 -0.103715D-02  0.124985D+01
      3  -0.109879D+00  0.493217D+00  0.110005D+01  0.176493D+00  0.888606D+00
               171           172           173           174           175 
      1   0.176493D+00  0.842792D+01  0.873089D+00 -0.161462D+01 -0.112858D+00
      2   0.888606D+00  0.873089D+00  0.897640D+00  0.115187D+00  0.260074D+01
      3   0.166968D+00 -0.161462D+01  0.115187D+00 -0.247610D-01  0.173079D+00
               176           177           178           179           180 
      1   0.260074D+01  0.173079D+00 -0.267530D+01 -0.216896D+00  0.187643D+01
      2  -0.442125D+01 -0.637065D+00 -0.216896D+00 -0.609261D+00  0.897995D-01
      3  -0.637065D+00 -0.103261D+01  0.187643D+01  0.897995D-01 -0.547415D+00
               181           182           183           184           185 
      1   0.608244D+00 -0.121674D+01 -0.552002D+00 -0.229616D+01  0.234416D+01
      2  -0.121674D+01  0.660432D+00  0.915684D-01  0.234416D+01 -0.948018D+01
      3  -0.552002D+00  0.915684D-01  0.268611D+00  0.110042D+00 -0.830400D+00
               186           187           188           189           190 
      1   0.110042D+00 -0.116868D+01  0.433638D+00  0.491654D+00  0.627131D-01
      2  -0.830400D+00  0.433638D+00 -0.161720D+01 -0.128425D+01  0.286167D+00
      3  -0.101441D+01  0.491654D+00 -0.128425D+01  0.126297D+00  0.119877D+01
               191           192           193           194           195 
      1   0.286167D+00  0.119877D+01  0.823592D+00  0.247703D+00  0.209950D-01
      2   0.399391D-01  0.393861D-01  0.247703D+00 -0.819983D+00  0.966362D+00
      3   0.393861D-01 -0.767983D-01  0.209950D-01  0.966362D+00  0.417052D+00
               196           197           198           199           200 
      1   0.214581D+01 -0.225167D+00  0.106952D+01 -0.478011D+00 -0.215496D+00
      2  -0.225167D+00  0.134022D+01 -0.104196D+01 -0.215496D+00  0.839523D-01
      3   0.106952D+01 -0.104196D+01  0.900406D+01  0.430754D+00 -0.124982D+00
               201           202           203           204           205 
      1   0.430754D+00 -0.305091D+00 -0.243431D+00  0.186581D+00  0.177224D+01
      2  -0.124982D+00 -0.243431D+00 -0.135103D+01  0.862507D+00  0.888505D+00
      3   0.305539D+00  0.186581D+00  0.862507D+00 -0.111795D+01 -0.100455D+01
               206           207           208           209           210 
      1   0.888505D+00 -0.100455D+01  0.944240D-01  0.112703D+01  0.177429D+00
      2   0.254429D+01 -0.234588D+01  0.112703D+01 -0.434615D+00 -0.733688D-01
      3  -0.234588D+01  0.573587D+01  0.177429D+00 -0.733688D-01  0.367944D+00
               211           212           213           214           215 
      1   0.290481D+01 -0.406622D+00 -0.283956D+00  0.375196D+00 -0.144120D+00
      2  -0.406622D+00  0.538447D+01 -0.781244D-01 -0.144120D+00  0.325967D+00
      3  -0.283956D+00 -0.781244D-01  0.949972D+00  0.451749D+00  0.336129D+00
               216 
      1   0.451749D+00
      2   0.336129D+00
      3  -0.231920D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.123853D+01 -0.712838D-01 -0.259933D+00 -0.119600D+01  0.225654D+01
      2   0.926782D+00  0.394382D-01  0.155712D+01  0.535460D+00  0.160525D+01
      3  -0.146183D+01  0.335040D+00 -0.984970D+00  0.650039D+01 -0.189681D+00
                 6             7             8             9            10 
      1  -0.253556D+00  0.596803D+00  0.420273D+01 -0.880075D+01 -0.748255D+00
      2  -0.545193D-01 -0.304544D+01  0.602402D-01 -0.547005D+01 -0.250412D+01
      3  -0.395260D+00 -0.717645D+00 -0.140797D+01 -0.109603D+01 -0.235366D+01
                11            12            13            14            15 
      1  -0.155406D+01 -0.610884D+00 -0.340106D+00 -0.149523D+01 -0.196978D+01
      2  -0.103205D+00  0.138755D+01  0.504959D+00 -0.150812D+01 -0.191981D+01
      3  -0.615897D+01 -0.210584D+00  0.331026D+00  0.308100D+01  0.245797D+01
                16            17            18            19            20 
      1  -0.101312D+01  0.226576D+01 -0.402577D+00 -0.195896D+01  0.744612D-01
      2  -0.389818D+01 -0.876437D+00  0.127530D+02  0.869854D-01  0.110241D+01
      3  -0.470586D+00  0.175816D+01  0.960273D+00  0.278209D+01 -0.425973D+01
                21            22            23            24            25 
      1   0.213758D+00 -0.846743D+00 -0.130154D+01 -0.122197D+01  0.249196D+00
      2   0.723706D+00  0.619154D+00  0.911302D+00  0.237921D+00 -0.427226D+01
      3   0.432340D+00  0.247495D+01 -0.418945D+01 -0.137919D+01  0.174731D+01
                26            27            28            29            30 
      1   0.239328D+01  0.586417D+01 -0.156843D+01  0.442791D+00  0.747755D+00
      2   0.479346D+00 -0.469269D+01 -0.197894D+01  0.112281D+01 -0.209331D+01
      3  -0.100416D+01 -0.392567D+00 -0.443714D+01 -0.786647D+01  0.277049D+00
                31            32            33            34            35 
      1  -0.629019D+00  0.730079D-01 -0.768507D+00 -0.568425D+00  0.354754D+01
      2  -0.169717D+00 -0.131961D+01 -0.268254D+01 -0.541282D+01  0.863472D+00
      3  -0.348252D+01  0.584910D+01  0.208305D+01  0.708184D+00  0.980925D+00
                36            37            38            39            40 
      1   0.426632D+01  0.201091D+01 -0.110225D-01 -0.984536D+00  0.393725D+00
      2   0.138887D+02  0.370742D+00  0.186394D+00  0.100691D+02 -0.232695D+00
      3   0.577248D+00 -0.484060D+01 -0.156360D+01 -0.163471D+01  0.172164D+02
                41            42            43            44            45 
      1   0.732672D+00 -0.424958D+01  0.166450D+01  0.184427D+01  0.170550D+00
      2  -0.822925D-01  0.557627D+00 -0.659951D+01 -0.125720D+01  0.100589D+01
      3   0.208024D+01 -0.525781D-01 -0.463504D+01 -0.694797D+00 -0.349868D+00
                46            47            48            49            50 
      1  -0.432793D+00 -0.183047D+00 -0.333304D+00 -0.993422D+00 -0.117537D+00
      2   0.132650D+01  0.370993D+00 -0.368844D+01 -0.138718D+00  0.235667D+01
      3   0.723654D+01  0.334591D+01  0.743014D+00  0.945076D+00 -0.338846D+01
                51            52            53            54            55 
      1  -0.136519D+01 -0.129156D+01  0.356412D+01  0.923849D+01 -0.389891D+01
      2   0.327716D+01 -0.423484D+01 -0.122280D+01 -0.141859D+02 -0.324204D+01
      3  -0.201980D+01  0.187654D+01 -0.167675D+01 -0.419460D+00  0.142804D+02
                56            57            58            59            60 
      1   0.148687D+01 -0.135970D+01  0.194500D+01 -0.380969D+01 -0.557109D+01
      2   0.236408D+01  0.109690D+01  0.536304D+00 -0.216238D+01 -0.344886D+00
      3  -0.501090D+01  0.264917D+01  0.366808D+01  0.836045D+01  0.349187D+00
                61            62            63            64            65 
      1  -0.984105D+00  0.736309D+00 -0.293879D+01  0.115581D+01 -0.199584D-01
      2  -0.421730D+01 -0.286336D+00 -0.105464D+01  0.102194D+01 -0.341863D+00
      3   0.570091D+01  0.131165D+01  0.174077D+01  0.491179D+00 -0.151154D+01
                66            67            68            69            70 
      1  -0.462428D+00  0.104175D+00  0.127866D+01 -0.286673D+00 -0.244599D+00
      2   0.765875D+00 -0.210231D+00  0.479536D+00  0.760565D-01 -0.370961D+01
      3  -0.114986D+01  0.504962D+00  0.163071D+00 -0.736058D+00 -0.231163D+01
                71            72            73            74            75 
      1   0.336782D+01  0.950392D+01 -0.859419D+00  0.362135D-01  0.133070D+01
      2  -0.456587D+00  0.532425D+01  0.513190D+01  0.105220D+01  0.403250D+01
      3  -0.111218D+01  0.865066D+00  0.102929D+02 -0.120574D+00 -0.201386D+00
                76            77            78            79            80 
      1  -0.180671D+01 -0.598371D+00 -0.239402D+01  0.143971D+01  0.306267D+01
      2   0.825739D+00  0.282736D+01 -0.334284D+01 -0.842823D+00 -0.178131D+01
      3   0.746804D+01  0.153166D+02 -0.209519D+01 -0.544702D+00 -0.468527D+01
                81            82            83            84            85 
      1   0.420377D+00  0.221497D-01  0.249041D+00 -0.429511D-01  0.499520D+00
      2   0.251642D+01 -0.201880D+01 -0.807407D-01  0.455502D+00  0.831716D-01
      3   0.958079D+00  0.626829D+00 -0.341848D+00  0.114484D+00  0.150210D+01
                86            87            88            89            90 
      1  -0.433939D+00 -0.129120D+01  0.329095D+00  0.387860D+01 -0.127472D+01
      2  -0.186732D+01  0.102762D+01 -0.301276D+01  0.317411D+00 -0.132557D+02
      3  -0.620345D+00  0.150595D+01  0.205341D+00  0.280871D+01 -0.114021D+00
                91            92            93            94            95 
      1  -0.990940D+00  0.200517D+00  0.542281D+00  0.202550D+00 -0.133822D+01
      2   0.117969D+01  0.233507D+00  0.406322D-01  0.594723D+00  0.299569D+00
      3  -0.307372D+00 -0.912896D+00  0.804638D+00  0.995307D+00  0.340453D+00
                96            97            98            99           100 
      1  -0.377791D+00 -0.317363D+00  0.387974D+01 -0.664006D+01  0.223364D+01
      2  -0.672592D+00 -0.436876D+01  0.209160D+00  0.490662D+01 -0.177615D+01
      3  -0.471202D+00  0.127337D+01 -0.108944D+01 -0.619038D-01  0.891091D+01
               101           102           103           104           105 
      1  -0.873107D-01 -0.184128D+01  0.867772D+00  0.415927D+01 -0.228941D+01
      2  -0.833554D+00  0.483281D+01  0.136840D+00 -0.176672D+01  0.907728D+00
      3  -0.101659D+02 -0.139379D+01 -0.986737D+00  0.128916D+02  0.217309D+01
               106           107           108           109           110 
      1  -0.167448D+01  0.344941D+01  0.161329D+01  0.174389D+01 -0.202789D+00
      2  -0.136522D+01  0.857486D+00 -0.139209D+01  0.358311D+01 -0.410610D+00
      3  -0.390300D+01  0.405158D+01  0.815765D+00  0.307136D+01  0.270358D+01
               111           112           113           114           115 
      1   0.209810D+01 -0.166531D+01  0.743657D+01 -0.109965D+01 -0.147976D+01
      2   0.222086D+01  0.310305D+00  0.371357D+01 -0.185021D+01 -0.528416D+01
      3  -0.138699D+01  0.119107D+02 -0.148454D+02 -0.356235D+01 -0.299867D+01
               116           117           118           119           120 
      1   0.273156D+01 -0.135513D+02 -0.414042D+00  0.456046D-01  0.659946D+00
      2   0.204111D+01 -0.185139D+02 -0.108610D+01 -0.374613D+00  0.157574D+01
      3  -0.390365D+01 -0.152625D+01  0.468458D+00 -0.120191D+00  0.906289D+00
               121           122           123           124           125 
      1  -0.187184D+00 -0.951889D+00 -0.479548D+00  0.365241D+00  0.352277D+01
      2  -0.129191D+00 -0.123477D+01 -0.201924D-01 -0.364793D+01 -0.497363D+00
      3   0.197482D+01 -0.992493D+00  0.143305D+01  0.201793D+01  0.220239D+01
               126           127           128           129           130 
      1  -0.416435D+01  0.407894D-01 -0.256751D+00 -0.176955D+01  0.425382D+00
      2  -0.105296D+02 -0.476134D+00 -0.161653D+01  0.569406D+01  0.395298D+00
      3  -0.285516D+00  0.556690D+01 -0.568270D+01  0.881786D+00  0.528579D+01
               131           132           133           134           135 
      1   0.143218D+00 -0.304627D+01  0.125087D+01  0.471032D+01 -0.132237D+02
      2   0.570172D+00 -0.930709D+00 -0.107280D+01 -0.283800D+01  0.113932D+02
      3  -0.505161D+01 -0.560664D+00  0.326366D+00 -0.101115D+01  0.259144D+01
               136           137           138           139           140 
      1  -0.148292D+01  0.623716D-01 -0.386530D+00  0.619562D+00 -0.111867D+01
      2   0.218843D+01 -0.256396D-02  0.643576D+00  0.187959D+00  0.109528D+01
      3  -0.710322D+00 -0.125610D+01  0.180490D+01  0.561041D+00  0.948267D+00
               141           142           143           144           145 
      1  -0.435574D+00 -0.631794D+00  0.289568D+01 -0.940274D+01  0.307283D+01
      2  -0.153996D+00 -0.330414D+01  0.124991D+01  0.119095D+02  0.299863D+01
      3  -0.140998D+01  0.315356D+01 -0.177281D+01  0.603081D+00 -0.147626D+02
               146           147           148           149           150 
      1  -0.128858D+01  0.330675D+01 -0.105389D+01  0.131071D+01 -0.162014D+01
      2  -0.165306D+01  0.253625D+01 -0.116704D+01  0.104732D+01 -0.125303D+01
      3   0.292021D+01 -0.189631D+01  0.449092D+01 -0.273607D+01  0.156146D+00
               151           152           153           154           155 
      1   0.214768D+01 -0.951470D+00  0.636469D+00  0.131684D+01  0.754538D+00
      2   0.709267D+00 -0.118600D+01  0.578187D+00 -0.237552D+01 -0.120048D+01
      3  -0.373914D+01  0.459137D+00 -0.114672D+01 -0.997781D+01 -0.830380D+01
               156           157           158           159           160 
      1  -0.382585D+00  0.106919D+01  0.815909D+00 -0.370171D+00 -0.205318D+00
      2   0.343633D+01 -0.142191D+01 -0.173145D+01  0.263845D+01  0.179378D+01
      3   0.810749D-01 -0.760807D+01 -0.121420D+02  0.970385D+00  0.846102D+00
               161           162           163           164           165 
      1   0.815913D+00  0.333742D+00 -0.527436D+00  0.497694D+00  0.273927D+00
      2   0.948599D+00 -0.134633D-01  0.466105D+00 -0.164362D+00 -0.256455D+00
      3   0.217635D+01 -0.821510D+00 -0.405857D+01  0.414797D+01  0.850272D+00
               166           167           168           169           170 
      1   0.434630D+00 -0.280297D+01 -0.338045D+01 -0.289921D+00 -0.132910D+01
      2  -0.339897D+00  0.788939D+00  0.152470D+01 -0.886796D+00  0.124416D+01
      3   0.582120D+01 -0.169323D+02 -0.165922D+01  0.177307D+01 -0.321102D+01
               171           172           173           174           175 
      1  -0.485871D+00 -0.117784D+01 -0.982311D+00 -0.178559D+01  0.888661D+00
      2   0.137150D+00 -0.447588D+01 -0.103112D+01  0.686882D+01  0.404477D+00
      3  -0.106515D+01 -0.902979D+01 -0.124972D+02  0.184455D+01 -0.769362D+01
               176           177           178           179           180 
      1   0.147761D+01 -0.351590D+01  0.217490D+01  0.390494D+01  0.423400D+00
      2  -0.169412D+01 -0.176090D+01  0.220988D+01  0.967895D-01 -0.354365D+01
      3   0.191097D+02  0.124796D+01  0.204306D+01  0.380095D+01 -0.205993D+01
               181           182           183           184           185 
      1  -0.153375D+01  0.585045D+00  0.765800D+00  0.958367D+00 -0.517734D+01
      2  -0.144155D+01  0.582137D+00  0.140902D+01  0.502753D+00 -0.220249D+01
      3   0.262635D+01 -0.701921D+00  0.695106D+00  0.607378D+00  0.206485D+02
               186           187           188           189           190 
      1  -0.454215D+01  0.973412D+00 -0.166808D+01 -0.419144D+00  0.211331D+01
      2  -0.277673D+01  0.530142D+00 -0.308243D+01  0.291825D+00  0.358680D+01
      3   0.204977D+01  0.165007D+01  0.325239D+01  0.243604D+01 -0.250912D+00
               191           192           193           194           195 
      1  -0.290794D-01  0.232032D-03 -0.141703D+00  0.112086D+01  0.632203D+00
      2  -0.165956D+00 -0.185505D+00 -0.711181D+00  0.258758D+01  0.996271D+00
      3  -0.134436D+01 -0.159258D+01 -0.103991D+01  0.150951D+01 -0.217365D+01
               196           197           198           199           200 
      1   0.972198D+00  0.279248D+01  0.129885D+02  0.998999D+00  0.153754D-01
      2  -0.238947D+01 -0.224915D+01  0.218974D+02 -0.189594D+01 -0.288778D-01
      3  -0.239849D+01 -0.318404D+01  0.186141D+01 -0.275424D+00  0.145517D+00
               201           202           203           204           205 
      1   0.960202D+00  0.505463D+00  0.227289D+01 -0.291268D+01 -0.248788D+01
      2  -0.834072D+00 -0.656549D+00 -0.212451D+01  0.264394D+01  0.695875D-01
      3  -0.116779D+01  0.433808D+00 -0.185046D+01  0.143781D+01 -0.251432D+01
               206           207           208           209           210 
      1  -0.389397D+01  0.150196D+02 -0.353991D+00  0.235670D+00 -0.680178D+00
      2   0.548282D+01 -0.130752D+02  0.281745D+00  0.160590D+00  0.366873D+00
      3   0.337435D+01 -0.307469D+01 -0.432957D+01  0.361212D+01  0.332154D+00
               211           212           213           214           215 
      1   0.678974D-01 -0.313954D+01  0.153631D+00 -0.533605D+00  0.885030D+00
      2  -0.460018D+00 -0.588739D+00  0.387548D+01 -0.212354D-01  0.144253D+01
      3   0.439228D+01 -0.269196D+02  0.524614D+00  0.911406D+00 -0.142336D+01
               216 
      1   0.273261D-01
      2  -0.749139D+00
      3  -0.995552D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.137129D+00 -0.685414D+01  0.205519D+00 -0.542285D+01  0.757014D+01
      2   0.328764D+01  0.885773D+01 -0.437305D+00  0.668966D+01 -0.169973D+02
      3  -0.315051D+01 -0.200359D+01  0.231786D+00 -0.126680D+01  0.942714D+01
      4  -0.507129D+01 -0.120898D+01 -0.852961D+00 -0.699731D+01  0.765350D+01
      5   0.140588D+01 -0.833282D+00 -0.200650D+00 -0.205572D+01  0.178365D+01
      6   0.152538D+00  0.139959D+01  0.333904D+00  0.211616D+01 -0.613935D+01
                 6             7             8             9            10 
      1   0.237171D+01  0.135050D+01  0.369866D+01  0.783778D+01 -0.150356D+02
      2  -0.216806D+01  0.164502D+00 -0.942517D+01  0.406650D+01  0.630249D+01
      3  -0.203649D+00 -0.151500D+01  0.572652D+01 -0.119043D+02  0.873314D+01
      4   0.213582D+01 -0.196717D+01  0.344638D+01  0.182371D+00  0.830044D+01
      5  -0.155711D+00  0.118164D+01  0.137385D+01 -0.117489D+02 -0.702525D+01
      6  -0.491257D+01 -0.157240D+00 -0.256536D+01  0.222158D+02  0.457379D+00
                11            12            13            14            15 
      1   0.441301D+01 -0.220035D+01  0.926331D+01  0.837183D+01  0.136820D+01
      2  -0.149087D+01  0.350366D+01 -0.564942D+01 -0.429347D+01 -0.162581D+01
      3  -0.292214D+01 -0.130331D+01 -0.361390D+01 -0.407836D+01  0.257611D+00
      4  -0.893581D+00  0.126684D+01  0.585742D+01 -0.652745D+01 -0.224692D+01
      5   0.963764D+00 -0.137461D+01  0.272728D+01 -0.115082D+01 -0.374105D+01
      6  -0.150193D+01  0.161927D+01 -0.934694D+00  0.135337D+00  0.428833D+00
                16            17            18            19            20 
      1  -0.981622D+01  0.144410D+01  0.549816D+01 -0.449874D+01  0.958856D+00
      2   0.313807D+01 -0.150395D+01  0.752434D+01 -0.809438D+00 -0.611487D+01
      3   0.667814D+01  0.598507D-01 -0.130225D+02  0.530818D+01  0.515601D+01
      4   0.475283D+01 -0.316722D+01 -0.221362D+01 -0.425950D+01 -0.826435D+01
      5  -0.224431D+01 -0.204165D+01  0.321772D+02  0.283210D+01  0.130335D+01
      6   0.392323D+00  0.322564D+00  0.602776D+00  0.412582D+00  0.105442D+01
                21            22            23            24            25 
      1  -0.321288D+00 -0.563431D+01 -0.442641D+01 -0.164324D+01  0.227643D+01
      2  -0.199799D+01  0.364862D+00  0.320518D+01  0.320005D+00  0.660135D+00
      3   0.231928D+01  0.526944D+01  0.122123D+01  0.132324D+01 -0.293656D+01
      4   0.881409D+00 -0.943356D+01 -0.574615D+00  0.442618D+00  0.356954D+01
      5  -0.273273D+01  0.176266D+01  0.777689D+00  0.914630D-01  0.251550D+00
      6  -0.594878D+00  0.231654D+00  0.268413D+01 -0.421383D+00 -0.237406D+00
                26            27            28            29            30 
      1   0.289101D-01  0.599219D+01 -0.118738D+02  0.885840D+01 -0.411539D+01
      2   0.180317D+01  0.872522D+01  0.490314D+01 -0.639901D+01  0.954637D+00
      3  -0.183208D+01 -0.147174D+02  0.697069D+01 -0.245938D+01  0.316075D+01
      4   0.366878D+01  0.110497D+01  0.172718D+01 -0.774258D+01  0.315909D+01
      5   0.390180D+00 -0.112724D+02 -0.489894D+01  0.171468D+01 -0.837714D+01
      6   0.224770D+01 -0.134816D+02  0.406754D+01 -0.110704D+01  0.113648D+01
                31            32            33            34            35 
      1   0.643370D+01  0.338099D+01 -0.268538D+01 -0.274144D+01  0.466499D+00
      2  -0.421445D+01 -0.287575D+01 -0.103358D+00 -0.112707D+01  0.134819D+01
      3  -0.221925D+01 -0.505239D+00  0.278874D+01  0.386851D+01 -0.181469D+01
      4  -0.583988D+01 -0.134807D+02 -0.192782D+01  0.234123D+01 -0.221958D+01
      5   0.537756D+00 -0.134009D+01 -0.425822D+01 -0.270278D+01  0.287947D+00
      6  -0.732035D+00  0.161928D+01 -0.156138D+01  0.986453D+00 -0.519235D+00
                36            37            38            39            40 
      1   0.586549D+01  0.744354D+00 -0.212795D+01 -0.117393D+01  0.252522D+00
      2   0.603008D+01  0.127393D+01  0.174126D+01 -0.391822D+00  0.633504D+00
      3  -0.118956D+02 -0.201829D+01  0.386689D+00  0.156576D+01 -0.886027D+00
      4   0.544631D+00 -0.423313D+01  0.147320D+02 -0.199327D+01  0.125748D+02
      5   0.250398D+02  0.136521D+01 -0.155470D+00  0.169495D+02 -0.119393D+01
      6  -0.100982D+02 -0.224135D+01  0.171933D+01  0.179854D+01 -0.282627D+00
                41            42            43            44            45 
      1  -0.141700D+02  0.404333D+01  0.926962D+00  0.263992D+01 -0.675686D+01
      2   0.192305D+02 -0.132444D+01 -0.188556D+01 -0.331021D+01 -0.442148D+00
      3  -0.506051D+01 -0.271889D+01  0.958594D+00  0.670297D+00  0.719901D+01
      4   0.247276D+01 -0.183172D+00 -0.690208D+01 -0.392363D+00 -0.129522D+01
      5  -0.541881D+00  0.166606D+01  0.432534D+01 -0.185226D+00  0.170047D+01
      6  -0.373943D+01  0.480582D+01 -0.940320D+00  0.687821D+01  0.803917D+00
                46            47            48            49            50 
      1  -0.796593D+01  0.361615D+01  0.402061D+01 -0.572167D+01 -0.449970D+01
      2   0.383927D+01 -0.782110D+01 -0.129304D+01 -0.168405D+01 -0.246084D+01
      3   0.412666D+01  0.420495D+01 -0.272757D+01  0.740572D+01  0.696054D+01
      4   0.328843D+01 -0.182606D+02 -0.462070D+00 -0.168187D+02 -0.184750D+01
      5   0.107725D+01 -0.523133D+00 -0.908971D+01  0.157977D+01  0.139801D+01
      6   0.298522D+00 -0.182110D+01 -0.201894D+01  0.669613D+00  0.232724D+01
                51            52            53            54            55 
      1  -0.160995D+01  0.361417D+01 -0.499056D+00  0.909488D+01 -0.410908D+01
      2  -0.149651D-01  0.145775D+01  0.575431D+01  0.797932D+01 -0.240599D+01
      3   0.162492D+01 -0.507191D+01 -0.525525D+01 -0.170742D+02  0.651507D+01
      4   0.223543D+01  0.254741D+01  0.234839D+01  0.129714D+01  0.201564D+02
      5   0.496612D+01 -0.227122D+01 -0.425989D+00 -0.268006D+02 -0.222096D+01
      6  -0.649757D+00 -0.761015D-01 -0.100430D+01 -0.228439D+02  0.664413D+01
                56            57            58            59            60 
      1   0.374565D+00 -0.254870D+01  0.343272D+01 -0.303827D+02 -0.612323D+01
      2   0.460647D+01  0.677207D+00 -0.234166D+01  0.471072D+02  0.558628D+01
      3  -0.498103D+01  0.187149D+01 -0.109106D+01 -0.167245D+02  0.536941D+00
      4  -0.368188D+01  0.546684D+01  0.316172D+01 -0.140636D+02 -0.389021D+01
      5   0.105870D+01  0.353395D+01  0.130558D+01 -0.301951D+01 -0.121449D+01
      6  -0.161864D+01  0.199205D+01 -0.257385D+01  0.111928D+02  0.104400D+02
                61            62            63            64            65 
      1  -0.162298D+01 -0.891173D+01 -0.858068D+01 -0.170394D+00  0.567427D+00
      2  -0.212347D+01  0.147116D+02  0.480439D+01 -0.317007D+01 -0.800759D+00
      3   0.374645D+01 -0.579985D+01  0.377629D+01  0.334046D+01  0.233332D+00
      4   0.102143D+02 -0.960131D+01 -0.211243D+01  0.901115D+00  0.208233D+01
      5   0.349593D+01 -0.379714D+01 -0.228711D+01  0.137989D+01 -0.995068D+00
      6  -0.358853D+00  0.143456D+02  0.634689D+01 -0.328137D+01 -0.442907D+00
                66            67            68            69            70 
      1   0.174681D+01  0.695970D+00 -0.426379D+01  0.293181D+01  0.179393D+01
      2  -0.719799D+00 -0.908262D+00  0.270982D+01 -0.347598D+01 -0.588522D+00
      3  -0.102701D+01  0.212292D+00  0.155396D+01  0.544166D+00 -0.120541D+01
      4  -0.268347D+01  0.183544D+01 -0.138534D+01  0.140102D+01 -0.334844D+01
      5   0.600546D+01 -0.206585D+00  0.128219D+01  0.573782D-01  0.380878D+01
      6   0.950197D+00 -0.288355D-01 -0.407240D+01  0.625291D+01 -0.313395D+00
                71            72            73            74            75 
      1   0.495349D+01 -0.156824D+02  0.257825D+02 -0.203350D+02  0.530792D+01
      2  -0.440982D+01 -0.118772D+02 -0.139693D+02  0.104521D+02 -0.577875D+01
      3  -0.543669D+00  0.275596D+02 -0.118133D+02  0.988283D+01  0.470824D+00
      4   0.280750D+01 -0.595702D+00 -0.256744D+02  0.479038D+01 -0.848784D+00
      5  -0.125445D+01  0.104905D+02  0.985484D+01 -0.450377D+00  0.708144D+01
      6   0.637621D+01 -0.228550D+02 -0.251552D+01  0.652432D+00 -0.237368D+01
                76            77            78            79            80 
      1  -0.372395D+02 -0.598854D+01 -0.519672D+00  0.167575D+02  0.220406D+00
      2   0.207316D+02  0.757665D+01  0.103943D+01 -0.106825D+02 -0.546219D-02
      3   0.165078D+02 -0.158811D+01 -0.519758D+00 -0.607495D+01 -0.214944D+00
      4   0.572333D+01 -0.194450D+02  0.503830D+01 -0.314116D+01  0.651072D+01
      5  -0.309263D+01  0.538674D+01 -0.521258D+01  0.143646D+02 -0.424153D+01
      6   0.436633D+00 -0.197601D+01  0.509407D+01 -0.258010D+01  0.418820D+01
                81            82            83            84            85 
      1   0.417444D+01  0.264195D+01 -0.990584D+00 -0.450339D+01 -0.636875D+00
      2  -0.719308D+01 -0.429721D+01  0.507379D+00  0.303309D+01  0.228568D+00
      3   0.301865D+01  0.165526D+01  0.483205D+00  0.147031D+01  0.408308D+00
      4  -0.455354D+01 -0.946403D+00  0.944906D+00  0.190690D+00  0.130870D+01
      5   0.552984D+01 -0.507939D+01 -0.291477D+00  0.623315D+01 -0.535448D+00
      6  -0.116863D+01  0.242941D+00 -0.927996D-01  0.223263D+00 -0.109500D+01
                86            87            88            89            90 
      1  -0.368548D+01  0.234406D+00 -0.654101D+01  0.887062D-01 -0.131262D+02
      2   0.150744D+00  0.865453D+00  0.582935D+01  0.632916D+00 -0.154409D+02
      3   0.353474D+01 -0.109986D+01  0.711661D+00 -0.721623D+00  0.285671D+02
      4   0.167876D+01 -0.425818D+01  0.962011D-01 -0.478464D+01  0.109197D+01
      5  -0.446679D+01  0.225172D+01  0.752283D+01  0.141276D+01 -0.308204D+02
      6  -0.625871D-01  0.722981D+01 -0.120605D+00  0.429570D+01  0.131951D+01
                91            92            93            94            95 
      1  -0.232019D+00 -0.299545D+00  0.198440D+01 -0.409361D+00 -0.200601D+01
      2  -0.263297D+01  0.615620D+00 -0.646556D+00  0.638111D+00 -0.108853D+01
      3   0.286499D+01 -0.316075D+00 -0.133785D+01 -0.228750D+00  0.309454D+01
      4  -0.164647D+00  0.224784D+01  0.155602D+01  0.271173D+01 -0.811068D-01
      5   0.191446D+01  0.172845D+00  0.538645D+01 -0.123941D+00  0.137988D+01
      6   0.182302D+01 -0.772810D-01 -0.756281D+00  0.276985D+00  0.166465D+01
                96            97            98            99           100 
      1  -0.767744D+00  0.200082D+01 -0.197235D+01 -0.159711D+02  0.225975D+02
      2   0.231191D+01 -0.163723D+01  0.267414D+01 -0.148583D+02 -0.838323D+01
      3  -0.154416D+01 -0.363598D+00 -0.701788D+00  0.308293D+02 -0.142143D+02
      4   0.157965D+01  0.248541D+01  0.258130D+01  0.324806D+00  0.208454D+02
      5  -0.891220D+00  0.462657D+01  0.364132D+00  0.114047D+02 -0.402000D+01
      6   0.570340D+01  0.574020D+00  0.434576D+01  0.134687D+02 -0.296951D+01
               101           102           103           104           105 
      1  -0.424577D+01 -0.217283D+01 -0.100458D+01  0.149622D+02  0.380417D+01
      2   0.125480D+02  0.322230D+01  0.644176D+01 -0.148836D+02 -0.382493D+01
      3  -0.830225D+01 -0.104946D+01 -0.543718D+01 -0.785708D-01  0.207619D-01
      4   0.216192D+02 -0.219940D+01  0.175341D+02  0.677997D+00 -0.277665D+01
      5  -0.549676D+00  0.844651D+01 -0.687103D+00 -0.411996D+01  0.110470D+01
      6   0.119289D+00  0.298081D+01 -0.267871D-01 -0.571752D+01  0.474118D+01
               106           107           108           109           110 
      1  -0.484400D+01  0.505884D+01  0.489538D-03 -0.480602D+01 -0.114515D+02
      2   0.188875D+01 -0.861537D+01 -0.285589D+01  0.502968D+01  0.510442D+01
      3   0.295525D+01  0.355653D+01  0.285540D+01 -0.223663D+00  0.634710D+01
      4  -0.607106D+01 -0.756161D+01  0.453705D+01 -0.145379D+02  0.245754D+01
      5   0.835921D+01  0.288410D+01 -0.232375D+01  0.125348D+02 -0.224853D+01
      6   0.526327D+01  0.556348D+01 -0.306708D+01 -0.696093D+01  0.366205D+01
               111           112           113           114           115 
      1   0.453611D+01 -0.218844D+02  0.109186D+02  0.249246D+01  0.171526D+02
      2  -0.534696D+01  0.173714D+02 -0.290184D+02 -0.658733D+01 -0.678562D+01
      3   0.810851D+00  0.451299D+01  0.180998D+02  0.409487D+01 -0.103670D+02
      4  -0.514004D+01 -0.694960D+01  0.338446D+02  0.661590D+01 -0.221576D+01
      5   0.558000D+00  0.940162D+00  0.662190D+01 -0.329264D+01 -0.293880D+01
      6  -0.387492D+01  0.947167D+00 -0.411058D+01  0.166206D+00  0.680411D+00
               116           117           118           119           120 
      1   0.161118D+01  0.133228D+02  0.243858D+01 -0.154736D+01 -0.227751D+01
      2  -0.517616D+01  0.826527D+01 -0.392028D+01  0.871519D+00  0.160615D+01
      3   0.356498D+01 -0.215880D+02  0.148170D+01  0.675837D+00  0.671361D+00
      4   0.788542D+01  0.378035D+01 -0.222399D+01  0.237117D+01  0.106095D+01
      5   0.342464D+01 -0.393101D+02 -0.297384D+01 -0.847403D-01  0.767079D+01
      6  -0.172837D+01  0.173613D+02  0.118375D+01  0.975703D-01 -0.890667D+00
               121           122           123           124           125 
      1  -0.129606D+01 -0.375755D+01 -0.895610D+00 -0.409754D+01 -0.128950D+01
      2   0.421870D+00  0.886484D+00  0.142523D+01  0.529621D+01  0.711649D+00
      3   0.874187D+00  0.287106D+01 -0.529624D+00 -0.119866D+01  0.577849D+00
      4   0.253714D+01  0.397371D+00 -0.204828D+01  0.277112D+01 -0.237588D+01
      5  -0.615971D-01 -0.290259D+01  0.458983D+00  0.663806D+01 -0.117557D+01
      6  -0.515932D+00  0.171729D+01  0.662864D+01 -0.117246D+01  0.477674D+01
               126           127           128           129           130 
      1  -0.156470D+02  0.174178D+02  0.273330D+01  0.537395D+00  0.454062D+01
      2  -0.132758D+02 -0.314400D+00  0.865712D+01  0.366663D+00  0.719903D+01
      3   0.289228D+02 -0.171034D+02 -0.113904D+02 -0.904057D+00 -0.117396D+02
      4  -0.109502D+01  0.246088D+02  0.276045D+02 -0.704818D+00  0.263119D+02
      5  -0.200792D+02 -0.183736D+01 -0.966123D+00  0.774895D+01  0.132937D+00
      6   0.103614D+02 -0.354043D+00 -0.125754D+01  0.398859D+01  0.551897D+00
               131           132           133           134           135 
      1  -0.591061D+01 -0.890396D+00 -0.189914D+00 -0.361175D+01  0.556633D+01
      2   0.262623D+02  0.165047D+01  0.992985D+00  0.350855D+01 -0.215731D+01
      3  -0.203517D+02 -0.760072D+00 -0.803071D+00  0.103193D+00 -0.340901D+01
      4   0.296709D+02  0.124982D+01  0.373923D+01  0.550878D+01 -0.707620D+00
      5   0.107902D+01 -0.866813D+00  0.507795D+01 -0.189444D+01  0.191454D+02
      6   0.111309D+01  0.342611D+01  0.169854D+01  0.240767D+00  0.229192D+02
               136           137           138           139           140 
      1  -0.957774D-01  0.556668D+00  0.342837D+01 -0.417474D+00 -0.296081D+01
      2  -0.267151D+01  0.335085D-01 -0.158831D+01  0.110958D+01  0.981897D+00
      3   0.276729D+01 -0.590176D+00 -0.184006D+01 -0.692106D+00  0.197891D+01
      4   0.106646D+01  0.379889D+01  0.296053D+01  0.379238D+01  0.148426D+01
      5   0.380008D+01  0.745376D+00  0.702094D+01 -0.104238D+00  0.262674D+01
      6   0.342565D+01 -0.136837D+00  0.544251D+00  0.204040D+00  0.366094D+01
               141           142           143           144           145 
      1  -0.209023D+01  0.263003D+01 -0.411952D+01 -0.166394D+02  0.103299D+02
      2   0.315344D+01 -0.319273D+01  0.230587D+01 -0.131187D+02  0.519312D+01
      3  -0.106321D+01  0.562695D+00  0.181365D+01  0.297581D+02 -0.155230D+02
      4   0.218730D+01  0.523731D+01  0.500619D+01  0.278285D+01 -0.308201D+02
      5  -0.515649D+00  0.735936D+01  0.326610D+01  0.223608D+02  0.783352D-01
      6   0.663195D+01  0.268816D+01  0.754659D+01  0.227741D+02 -0.318207D+01
               146           147           148           149           150 
      1   0.183000D+00  0.182823D+01 -0.565810D+00 -0.180034D+01  0.348724D+00
      2  -0.121390D+02  0.250857D+00 -0.657989D+01  0.103131D+02 -0.153345D+01
      3   0.119560D+02 -0.207909D+01  0.714570D+01 -0.851273D+01  0.118473D+01
      4   0.217857D+02 -0.284609D+01  0.145008D+02 -0.123491D+02  0.155467D+01
      5   0.346357D+00  0.306231D+01  0.189501D+00  0.477552D+00 -0.165568D+01
      6   0.576451D+00 -0.515714D+01  0.978717D+00 -0.131754D+01  0.272257D+01
               151           152           153           154           155 
      1   0.158162D+01  0.117036D+01 -0.314563D+00  0.420462D+02  0.147563D+02
      2   0.130040D+01 -0.381867D+01  0.756870D+00 -0.228950D+02 -0.850495D+01
      3  -0.288202D+01  0.264831D+01 -0.442307D+00 -0.191512D+02 -0.625136D+01
      4  -0.654655D+01  0.460139D+01 -0.455868D+01  0.116816D+02  0.110003D+02
      5   0.376524D+01 -0.226378D+01  0.930487D+00  0.441505D+00  0.847066D-01
      6  -0.426516D+01  0.442611D+01 -0.113821D+01  0.110109D+01  0.938582D+00
               156           157           158           159           160 
      1  -0.960433D+00  0.281371D+02  0.117916D+02  0.354992D+00 -0.555306D+01
      2   0.176140D-01 -0.158679D+02 -0.518505D+01 -0.631961D+00  0.316418D+01
      3   0.942819D+00 -0.122692D+02 -0.660653D+01  0.276969D+00  0.238888D+01
      4  -0.220699D+00  0.125131D+02  0.136099D+02 -0.121237D+01 -0.102857D+01
      5   0.567837D+01  0.130695D+01 -0.129447D+01  0.409142D+01  0.708192D+01
      6   0.594241D-01  0.115927D+01  0.985292D+00  0.208926D+00  0.578933D+00
               161           162           163           164           165 
      1  -0.135545D+01  0.409117D+01 -0.156418D+01  0.543152D+01  0.768980D+00
      2   0.650143D+00 -0.374377D+01  0.274185D+01 -0.647987D+01 -0.746547D+00
      3   0.705307D+00 -0.347400D+00 -0.117767D+01  0.104836D+01 -0.224336D-01
      4  -0.213281D+01  0.179861D+01 -0.730826D+00  0.257522D+00  0.559278D+00
      5   0.220593D+01  0.978582D-01  0.528584D+00 -0.242536D+00 -0.232564D+00
      6   0.125147D+01 -0.378693D+00  0.110062D+01 -0.418176D+00 -0.194776D+00
               166           167           168           169           170 
      1   0.433184D+01 -0.239812D+02 -0.174230D+01  0.115225D+01 -0.418157D+01
      2  -0.104114D+01  0.399384D+02  0.295091D+01 -0.722618D+00  0.593516D+01
      3  -0.329070D+01 -0.159571D+02 -0.120861D+01 -0.429634D+00 -0.175360D+01
      4   0.616851D+01  0.215071D+02  0.137077D+01  0.117925D+01  0.360907D+01
      5  -0.208807D+00  0.235297D+01  0.290395D+01  0.120324D+01  0.242041D+01
      6  -0.228722D+00  0.313970D+01  0.482912D+01  0.606528D+00  0.615283D+01
               171           172           173           174           175 
      1  -0.349902D+01  0.715898D+02  0.314984D+01 -0.716456D+01  0.226375D+01
      2   0.317679D+01 -0.413552D+02 -0.859457D+00  0.761954D+01 -0.293897D+01
      3   0.322229D+00 -0.302345D+02 -0.229038D+01 -0.454978D+00  0.675221D+00
      4   0.228032D+01 -0.335570D+01  0.125788D+02  0.213309D+01  0.199844D+02
      5   0.286553D+00 -0.129657D+02  0.612648D+00  0.121286D+02  0.268464D+00
      6   0.128651D+01  0.329640D+01 -0.160685D+01  0.143242D+01 -0.123740D+01
               176           177           178           179           180 
      1   0.113530D+02  0.198031D+01 -0.184857D+02 -0.555828D+00  0.863766D+01
      2  -0.141573D+01  0.108819D+01  0.116282D+02 -0.187421D+00 -0.117740D+02
      3  -0.993722D+01 -0.306851D+01  0.685755D+01  0.743249D+00  0.313633D+01
      4  -0.263681D+02 -0.438081D+01  0.776377D+00 -0.484231D+01 -0.136692D+01
      5  -0.466906D+01 -0.363727D+01  0.200857D+02  0.694542D+00 -0.744090D+01
      6   0.151334D+01  0.673672D+01 -0.242162D+01  0.348217D+01 -0.305368D+00
               181           182           183           184           185 
      1   0.253476D+01 -0.648587D+01 -0.286948D+01 -0.563033D+01 -0.179311D+02
      2   0.356740D+01  0.122478D+01  0.955940D+00 -0.442500D+01  0.435111D+02
      3  -0.610216D+01  0.526108D+01  0.191354D+01  0.100553D+02 -0.255800D+02
      4  -0.891288D+01  0.108295D+02  0.162383D+01  0.189148D+02 -0.485823D+02
      5  -0.261713D+01  0.455568D+00  0.250850D+01  0.360448D+00 -0.359419D+01
      6   0.168997D+01 -0.409943D+00 -0.908289D+00  0.451533D-01  0.199342D+01
               186           187           188           189           190 
      1  -0.177787D+01 -0.477020D+01 -0.271878D+01 -0.353103D+01  0.788485D+00
      2   0.416048D+01  0.101593D+01  0.637210D+01  0.296458D+01 -0.409867D+01
      3  -0.238261D+01  0.375427D+01 -0.365333D+01  0.566447D+00  0.331018D+01
      4  -0.392967D+01  0.449728D+01 -0.822484D+01 -0.659787D+01  0.700647D+00
      5  -0.548294D+01  0.373727D+01 -0.664795D+01  0.832247D+00  0.693620D+01
      6   0.634836D+01 -0.210053D+01  0.767377D+01  0.166446D+01 -0.216164D+01
               191           192           193           194           195 
      1   0.127782D+01  0.767754D+01  0.480137D+01 -0.417653D+01  0.112622D+01
      2  -0.110311D+01 -0.407636D+01 -0.372110D+01  0.328126D+01 -0.263626D+01
      3  -0.174711D+00 -0.360117D+01 -0.108027D+01  0.895264D+00  0.151004D+01
      4   0.147375D+01 -0.223149D+01  0.156173D+01 -0.451397D+01  0.453670D+01
      5  -0.594071D+00  0.598328D+01  0.262175D+00  0.493457D+01  0.224521D+01
      6  -0.472017D+00  0.406892D+00  0.570600D+00 -0.173463D+01  0.446676D+01
               196           197           198           199           200 
      1   0.914478D+01  0.303375D+01 -0.180520D+02  0.141071D+01  0.236330D+01
      2  -0.740773D+01 -0.170031D+01 -0.143677D+02 -0.130852D+01 -0.154046D+01
      3  -0.173705D+01 -0.133345D+01  0.324197D+02 -0.102192D+00 -0.822848D+00
      4  -0.431575D+01  0.618596D+01 -0.568025D+01  0.197837D+01  0.136742D+01
      5   0.104853D+02 -0.563563D+01  0.458678D+02 -0.195557D+01 -0.570940D+00
      6  -0.271734D+01  0.760458D+01 -0.203137D+02 -0.219975D+01  0.833452D+00
               201           202           203           204           205 
      1  -0.334166D+01  0.581469D+00 -0.472805D+01  0.250757D+01 -0.382061D+01
      2   0.158288D+01  0.609069D+00  0.675459D+01 -0.430429D+01  0.103392D+01
      3   0.175877D+01 -0.119054D+01 -0.202654D+01  0.179672D+01  0.278669D+01
      4  -0.201051D+01  0.250077D+01  0.446243D+01 -0.344497D+01 -0.827781D+01
      5   0.550967D+00 -0.963058D+00 -0.313033D+01  0.415103D+01  0.567480D+01
      6  -0.192024D+01 -0.125309D+01 -0.544811D+01  0.700283D+01  0.454121D+01
               206           207           208           209           210 
      1   0.631046D+01 -0.100136D+02  0.209393D+00  0.628721D+01  0.126978D+01
      2  -0.758598D+01  0.186514D+01  0.107164D+01 -0.256132D+01 -0.598167D+00
      3   0.127552D+01  0.814844D+01 -0.128103D+01 -0.372589D+01 -0.671612D+00
      4  -0.102966D+02  0.896376D+01  0.656821D+01 -0.689940D+00 -0.256506D+00
      5   0.913535D+01 -0.223577D+02  0.119161D+01 -0.544098D+00  0.715088D+00
      6   0.133110D+02 -0.271260D+02 -0.299544D-01 -0.900960D-01  0.122371D+01
               211           212           213           214           215 
      1   0.205340D+02 -0.114599D+01 -0.175727D+01  0.227004D+01 -0.448724D+00
      2  -0.118775D+02  0.124272D+01  0.155700D+01 -0.124838D+01  0.391766D+00
      3  -0.865644D+01 -0.967268D-01  0.200270D+00 -0.102166D+01  0.569583D-01
      4  -0.921442D+00  0.326514D+02 -0.302320D+00 -0.393206D+00  0.143927D+01
      5  -0.214065D+01  0.128791D+00  0.693624D+01  0.364422D+01  0.259568D+01
      6   0.467696D+00 -0.101993D+01 -0.106430D+01  0.343552D+00  0.198781D+01
               216 
      1   0.896088D+00
      2  -0.189041D+01
      3   0.994327D+00
      4   0.208805D+01
      5  -0.167580D+01
      6   0.602044D-01
 Leave Link  716 at Thu Aug 12 22:03:45 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.112532D+03  0.892261D+00 -0.253400D+00
      2   0.892261D+00  0.101200D+03 -0.159153D+01
      3  -0.253400D+00 -0.159153D+01  0.852548D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.148304D+01 -0.427890D+01  0.642407D+01
      2  -0.368518D+01 -0.189242D+00  0.516221D+01
      3  -0.597090D+01 -0.109857D+02  0.135437D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.293630D+02 -0.121984D+02 -0.171453D+02
      2  -0.237476D+02  0.125980D+02  0.111367D+02
      3  -0.561539D+01 -0.399643D+00  0.600865D+01
      4  -0.206975D+02 -0.711173D+01 -0.131136D+01
      5  -0.802188D+01 -0.283944D+01  0.873769D+01
      6  -0.407438D+00  0.132163D+02 -0.119222D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.284836D+01  0.220204D+01 -0.890730D+00  0.177837D+01  0.214325D+01
      2   0.220204D+01  0.187351D+01  0.187542D+00  0.214325D+01 -0.288733D+01
      3  -0.890730D+00  0.187542D+00 -0.603464D+00  0.227718D+00 -0.121845D+01
                 6             7             8             9            10 
      1   0.227718D+00 -0.108577D+01  0.455004D+00 -0.413870D+00  0.246537D+01
      2  -0.121845D+01  0.455004D+00 -0.197101D+01 -0.686247D+00 -0.162177D+01
      3   0.874105D+00 -0.413870D+00 -0.686247D+00  0.837897D+01  0.118493D+01
                11            12            13            14            15 
      1  -0.162177D+01  0.118493D+01 -0.235196D+01 -0.230031D+01 -0.510428D+00
      2  -0.185506D+01 -0.286203D+00 -0.230031D+01  0.201510D+01  0.883536D+00
      3  -0.286203D+00 -0.121899D+01 -0.510428D+00  0.883536D+00  0.123685D+01
                16            17            18            19            20 
      1   0.173171D+01 -0.602493D+00  0.405525D+00  0.172701D+01 -0.218028D+01
      2  -0.602493D+00  0.102677D+01  0.465072D+00 -0.218028D+01 -0.176834D+01
      3   0.405525D+00  0.465072D+00 -0.884511D+01  0.995639D+00  0.561744D-01
                21            22            23            24            25 
      1   0.995639D+00 -0.312698D+01 -0.256685D+01  0.676818D-01  0.166260D+01
      2   0.561744D-01 -0.256685D+01  0.267988D+01  0.945932D+00  0.140503D+00
      3   0.975852D+00  0.676818D-01  0.945932D+00  0.135290D+01  0.104014D+00
                26            27            28            29            30 
      1   0.140503D+00  0.104014D+00 -0.101547D+01  0.323066D+01 -0.122863D+01
      2   0.162445D+01  0.483187D+00  0.323066D+01  0.119503D+01  0.145051D+00
      3   0.483187D+00 -0.806805D+01 -0.122863D+01  0.145051D+00 -0.107456D+01
                31            32            33            34            35 
      1   0.337387D+01  0.254628D+01  0.182666D+00 -0.138659D+01  0.311501D+00
      2   0.254628D+01 -0.367267D+01 -0.103997D+01  0.311501D+00 -0.153690D+01
      3   0.182666D+00 -0.103997D+01 -0.817351D+00 -0.533692D+00  0.306240D-01
                36            37            38            39            40 
      1  -0.533692D+00  0.255878D+01 -0.274129D+01  0.729812D+00 -0.406040D+01
      2   0.306240D-01 -0.274129D+01 -0.193452D+00 -0.467627D+00 -0.968068D+00
      3   0.851744D+01  0.729812D+00 -0.467627D+00  0.111024D+00 -0.112311D+00
                41            42            43            44            45 
      1  -0.968068D+00 -0.112311D+00  0.290295D+01  0.247188D+00  0.222980D+00
      2  -0.315528D+01  0.101773D+01  0.247188D+00  0.121577D+01 -0.842158D+00
      3   0.101773D+01  0.632746D+00  0.222980D+00 -0.842158D+00 -0.126998D+01
                46            47            48            49            50 
      1  -0.389009D+01  0.520288D+00 -0.414505D+00  0.262290D+01  0.217887D+01
      2   0.520288D+00  0.195559D+01  0.738483D+00  0.217887D+01 -0.213482D+01
      3  -0.414505D+00  0.738483D+00 -0.324590D+00  0.121969D+00 -0.787987D+00
                51            52            53            54            55 
      1   0.121969D+00 -0.146456D+01  0.269695D+00  0.128541D+00  0.409919D+01
      2  -0.787987D+00  0.269695D+00 -0.119255D+01  0.943000D-01 -0.788284D+00
      3  -0.212275D+01  0.128541D+00  0.943000D-01  0.854527D+01  0.132102D+01
                56            57            58            59            60 
      1  -0.788284D+00  0.132102D+01 -0.295942D+00 -0.274051D+00 -0.270067D+00
      2   0.167959D+01 -0.148030D+00 -0.274051D+00  0.780862D+01  0.144331D+01
      3  -0.148030D+00  0.844699D+00 -0.270067D+00  0.144331D+01 -0.309371D+00
                61            62            63            64            65 
      1   0.197856D+01 -0.101576D+01  0.480525D-01  0.466442D+00 -0.275215D+00
      2  -0.101576D+01  0.320792D+01  0.167690D+01 -0.275215D+00 -0.331283D+00
      3   0.480525D-01  0.167690D+01  0.309723D+00 -0.979682D+00 -0.116781D-01
                66            67            68            69            70 
      1  -0.979682D+00 -0.197225D+00 -0.356044D+00  0.266361D-01 -0.159414D+01
      2  -0.116781D-01 -0.356044D+00  0.819471D+00 -0.113999D+01  0.111819D+00
      3   0.160796D+00  0.266361D-01 -0.113999D+01  0.303609D+00 -0.376718D-01
                71            72            73            74            75 
      1   0.111819D+00 -0.376718D-01 -0.421007D+01  0.323645D+01 -0.119836D+01
      2  -0.184294D+01  0.925026D+00  0.323645D+01  0.818918D+00 -0.589853D-01
      3   0.925026D+00 -0.771565D+01 -0.119836D+01 -0.589853D-01  0.941662D+00
                76            77            78            79            80 
      1   0.609446D+01 -0.328838D+00  0.361428D+00 -0.300271D+01  0.185458D+00
      2  -0.328838D+00  0.331502D+01 -0.960719D+00  0.185458D+00 -0.106244D+01
      3   0.361428D+00 -0.960719D+00  0.517108D+00 -0.144000D+01  0.535924D+00
                81            82            83            84            85 
      1  -0.144000D+01 -0.736854D+00  0.315338D+00  0.114239D+01  0.249559D+00
      2   0.535924D+00  0.315338D+00  0.259781D+00  0.406237D-01  0.229096D+00
      3  -0.204897D+00  0.114239D+01  0.406237D-01 -0.255722D+00  0.785524D-01
                86            87            88            89            90 
      1   0.229096D+00  0.785524D-01  0.201680D+01  0.101058D+00 -0.889642D+00
      2  -0.495839D+00  0.107956D+01  0.101058D+00  0.148214D+01 -0.269781D+00
      3   0.107956D+01 -0.555534D+00 -0.889642D+00 -0.269781D+00  0.799827D+01
                91            92            93            94            95 
      1  -0.215897D+00  0.221954D+00  0.107026D+01  0.270030D+00  0.461074D+00
      2   0.221954D+00  0.406168D+00  0.696709D-01  0.461074D+00 -0.420033D+00
      3   0.107026D+01  0.696709D-01 -0.103423D+00  0.653304D-01  0.954934D+00
                96            97            98            99           100 
      1   0.653304D-01  0.176279D+01  0.502200D-01  0.346513D+00  0.600501D+01
      2   0.954934D+00  0.502200D-01  0.157545D+01  0.230207D+00  0.208157D+01
      3  -0.297174D+00  0.346513D+00  0.230207D+00  0.760135D+01 -0.887354D+00
               101           102           103           104           105 
      1   0.208157D+01 -0.887354D+00  0.103542D+01  0.313097D+01  0.100669D+00
      2   0.361299D+01  0.112689D+00  0.313097D+01 -0.256539D+01 -0.102224D+01
      3   0.112689D+00 -0.166183D+00  0.100669D+00 -0.102224D+01 -0.891438D+00
               106           107           108           109           110 
      1  -0.182819D+01 -0.481156D+00  0.114260D+01  0.209712D+01 -0.305143D+01
      2  -0.481156D+00 -0.218269D+01  0.581089D+00 -0.305143D+01  0.639594D+00
      3   0.114260D+01  0.581089D+00 -0.138937D+00  0.193028D+01 -0.401443D+00
               111           112           113           114           115 
      1   0.193028D+01 -0.254271D+01 -0.178062D+01 -0.535620D-01  0.274949D+01
      2  -0.401443D+00 -0.178062D+01  0.701046D+01  0.150225D+01 -0.816924D-01
      3   0.137802D+01 -0.535620D-01  0.150225D+01 -0.233363D+00 -0.297620D+00
               116           117           118           119           120 
      1  -0.816924D-01 -0.297620D+00  0.911368D+00 -0.584961D+00 -0.109505D+01
      2   0.146709D+01  0.663831D+00 -0.584961D+00 -0.252343D-01 -0.361820D-01
      3   0.663831D+00 -0.823629D+01 -0.109505D+01 -0.361820D-01  0.704594D+00
               121           122           123           124           125 
      1  -0.593826D+00 -0.512324D-01 -0.759076D-01 -0.223777D+01 -0.103895D+00
      2  -0.512324D-01  0.225702D+00 -0.101256D+01 -0.103895D+00 -0.131117D+01
      3  -0.759076D-01 -0.101256D+01 -0.487493D-01  0.900919D+00 -0.483310D+00
               126           127           128           129           130 
      1   0.900919D+00 -0.420540D+01 -0.264435D+01  0.146041D+00 -0.263770D+01
      2  -0.483310D+00 -0.264435D+01 -0.279080D+01  0.491131D-01 -0.292479D+01
      3  -0.770167D+01  0.146041D+00  0.491131D-01  0.237732D-02 -0.305420D+00
               131           132           133           134           135 
      1  -0.292479D+01 -0.305420D+00 -0.618092D+00 -0.755425D+00 -0.191179D+00
      2  -0.520135D+01 -0.368930D+00 -0.755425D+00 -0.162437D+01  0.720860D+00
      3  -0.368930D+00  0.118873D+01 -0.191179D+00  0.720860D+00 -0.514826D+01
               136           137           138           139           140 
      1   0.775047D-01 -0.377477D+00 -0.119891D+01 -0.375340D+00 -0.551372D+00
      2  -0.377477D+00 -0.418924D+00 -0.751248D-01 -0.551372D+00 -0.357390D+00
      3  -0.119891D+01 -0.751248D-01 -0.242512D+00  0.367768D-01 -0.100934D+01
               141           142           143           144           145 
      1   0.367768D-01 -0.213781D+01 -0.338056D+00 -0.943304D+00 -0.550787D+01
      2  -0.100934D+01 -0.338056D+00 -0.153446D+01 -0.119084D+01  0.301651D+01
      3  -0.130801D+00 -0.943304D+00 -0.119084D+01 -0.805389D+01 -0.512872D+00
               146           147           148           149           150 
      1   0.301651D+01 -0.512872D+00  0.207974D+01 -0.170932D+01  0.144651D+00
      2  -0.339321D+01  0.518645D-01 -0.170932D+01  0.228687D+01 -0.270928D+00
      3   0.518645D-01 -0.105457D+01  0.144651D+00 -0.270928D+00  0.622071D+00
               151           152           153           154           155 
      1  -0.119041D+01  0.607835D+00 -0.735847D+00 -0.603766D+01 -0.200583D+01
      2   0.607835D+00 -0.962990D+00  0.671018D+00 -0.200583D+01 -0.182188D+01
      3  -0.735847D+00  0.671018D+00 -0.172243D+00  0.282587D-01  0.312528D-01
               156           157           158           159           160 
      1   0.282587D-01 -0.420492D+01 -0.183557D+01 -0.183247D+00  0.815064D+00
      2   0.312528D-01 -0.183557D+01 -0.239436D+01  0.227364D+00  0.163270D+00
      3  -0.953310D+00 -0.183247D+00  0.227364D+00 -0.623702D+00 -0.877604D+00
               161           162           163           164           165 
      1   0.163270D+00 -0.877604D+00 -0.455406D+00  0.592027D+00  0.217112D+00
      2   0.388065D+00 -0.248145D+00  0.592027D+00 -0.109034D+01 -0.449822D-01
      3  -0.248145D+00 -0.498941D-01  0.217112D+00 -0.449822D-01  0.377713D-01
               166           167           168           169           170 
      1   0.186836D+01  0.414979D+00 -0.109879D+00  0.476808D+00 -0.103715D-02
      2   0.414979D+00  0.781132D+01  0.493217D+00 -0.103715D-02  0.124985D+01
      3  -0.109879D+00  0.493217D+00  0.110005D+01  0.176493D+00  0.888606D+00
               171           172           173           174           175 
      1   0.176493D+00  0.842792D+01  0.873089D+00 -0.161462D+01 -0.112858D+00
      2   0.888606D+00  0.873089D+00  0.897640D+00  0.115187D+00  0.260074D+01
      3   0.166968D+00 -0.161462D+01  0.115187D+00 -0.247610D-01  0.173079D+00
               176           177           178           179           180 
      1   0.260074D+01  0.173079D+00 -0.267530D+01 -0.216896D+00  0.187643D+01
      2  -0.442125D+01 -0.637065D+00 -0.216896D+00 -0.609261D+00  0.897995D-01
      3  -0.637065D+00 -0.103261D+01  0.187643D+01  0.897995D-01 -0.547415D+00
               181           182           183           184           185 
      1   0.608244D+00 -0.121674D+01 -0.552002D+00 -0.229616D+01  0.234416D+01
      2  -0.121674D+01  0.660432D+00  0.915684D-01  0.234416D+01 -0.948018D+01
      3  -0.552002D+00  0.915684D-01  0.268611D+00  0.110042D+00 -0.830400D+00
               186           187           188           189           190 
      1   0.110042D+00 -0.116868D+01  0.433638D+00  0.491654D+00  0.627131D-01
      2  -0.830400D+00  0.433638D+00 -0.161720D+01 -0.128425D+01  0.286167D+00
      3  -0.101441D+01  0.491654D+00 -0.128425D+01  0.126297D+00  0.119877D+01
               191           192           193           194           195 
      1   0.286167D+00  0.119877D+01  0.823592D+00  0.247703D+00  0.209950D-01
      2   0.399391D-01  0.393861D-01  0.247703D+00 -0.819983D+00  0.966362D+00
      3   0.393861D-01 -0.767983D-01  0.209950D-01  0.966362D+00  0.417052D+00
               196           197           198           199           200 
      1   0.214581D+01 -0.225167D+00  0.106952D+01 -0.478011D+00 -0.215496D+00
      2  -0.225167D+00  0.134022D+01 -0.104196D+01 -0.215496D+00  0.839523D-01
      3   0.106952D+01 -0.104196D+01  0.900406D+01  0.430754D+00 -0.124982D+00
               201           202           203           204           205 
      1   0.430754D+00 -0.305091D+00 -0.243431D+00  0.186581D+00  0.177224D+01
      2  -0.124982D+00 -0.243431D+00 -0.135103D+01  0.862507D+00  0.888505D+00
      3   0.305539D+00  0.186581D+00  0.862507D+00 -0.111795D+01 -0.100455D+01
               206           207           208           209           210 
      1   0.888505D+00 -0.100455D+01  0.944240D-01  0.112703D+01  0.177429D+00
      2   0.254429D+01 -0.234588D+01  0.112703D+01 -0.434615D+00 -0.733688D-01
      3  -0.234588D+01  0.573587D+01  0.177429D+00 -0.733688D-01  0.367944D+00
               211           212           213           214           215 
      1   0.290481D+01 -0.406622D+00 -0.283956D+00  0.375196D+00 -0.144120D+00
      2  -0.406622D+00  0.538447D+01 -0.781244D-01 -0.144120D+00  0.325967D+00
      3  -0.283956D+00 -0.781244D-01  0.949972D+00  0.451749D+00  0.336129D+00
               216 
      1   0.451749D+00
      2   0.336129D+00
      3  -0.231920D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.123853D+01 -0.712838D-01 -0.259933D+00 -0.119600D+01  0.225654D+01
      2   0.926782D+00  0.394382D-01  0.155712D+01  0.535460D+00  0.160525D+01
      3  -0.146183D+01  0.335040D+00 -0.984970D+00  0.650039D+01 -0.189681D+00
                 6             7             8             9            10 
      1  -0.253556D+00  0.596803D+00  0.420273D+01 -0.880075D+01 -0.748255D+00
      2  -0.545193D-01 -0.304544D+01  0.602402D-01 -0.547005D+01 -0.250412D+01
      3  -0.395260D+00 -0.717645D+00 -0.140797D+01 -0.109603D+01 -0.235366D+01
                11            12            13            14            15 
      1  -0.155406D+01 -0.610884D+00 -0.340106D+00 -0.149523D+01 -0.196978D+01
      2  -0.103205D+00  0.138755D+01  0.504959D+00 -0.150812D+01 -0.191981D+01
      3  -0.615897D+01 -0.210584D+00  0.331026D+00  0.308100D+01  0.245797D+01
                16            17            18            19            20 
      1  -0.101312D+01  0.226576D+01 -0.402577D+00 -0.195896D+01  0.744612D-01
      2  -0.389818D+01 -0.876437D+00  0.127530D+02  0.869854D-01  0.110241D+01
      3  -0.470586D+00  0.175816D+01  0.960273D+00  0.278209D+01 -0.425973D+01
                21            22            23            24            25 
      1   0.213758D+00 -0.846743D+00 -0.130154D+01 -0.122197D+01  0.249196D+00
      2   0.723706D+00  0.619154D+00  0.911302D+00  0.237921D+00 -0.427226D+01
      3   0.432340D+00  0.247495D+01 -0.418945D+01 -0.137919D+01  0.174731D+01
                26            27            28            29            30 
      1   0.239328D+01  0.586417D+01 -0.156843D+01  0.442791D+00  0.747755D+00
      2   0.479346D+00 -0.469269D+01 -0.197894D+01  0.112281D+01 -0.209331D+01
      3  -0.100416D+01 -0.392567D+00 -0.443714D+01 -0.786647D+01  0.277049D+00
                31            32            33            34            35 
      1  -0.629019D+00  0.730079D-01 -0.768507D+00 -0.568425D+00  0.354754D+01
      2  -0.169717D+00 -0.131961D+01 -0.268254D+01 -0.541282D+01  0.863472D+00
      3  -0.348252D+01  0.584910D+01  0.208305D+01  0.708184D+00  0.980925D+00
                36            37            38            39            40 
      1   0.426632D+01  0.201091D+01 -0.110225D-01 -0.984536D+00  0.393725D+00
      2   0.138887D+02  0.370742D+00  0.186394D+00  0.100691D+02 -0.232695D+00
      3   0.577248D+00 -0.484060D+01 -0.156360D+01 -0.163471D+01  0.172164D+02
                41            42            43            44            45 
      1   0.732672D+00 -0.424958D+01  0.166450D+01  0.184427D+01  0.170550D+00
      2  -0.822925D-01  0.557627D+00 -0.659951D+01 -0.125720D+01  0.100589D+01
      3   0.208024D+01 -0.525781D-01 -0.463504D+01 -0.694797D+00 -0.349868D+00
                46            47            48            49            50 
      1  -0.432793D+00 -0.183047D+00 -0.333304D+00 -0.993422D+00 -0.117537D+00
      2   0.132650D+01  0.370993D+00 -0.368844D+01 -0.138718D+00  0.235667D+01
      3   0.723654D+01  0.334591D+01  0.743014D+00  0.945076D+00 -0.338846D+01
                51            52            53            54            55 
      1  -0.136519D+01 -0.129156D+01  0.356412D+01  0.923849D+01 -0.389891D+01
      2   0.327716D+01 -0.423484D+01 -0.122280D+01 -0.141859D+02 -0.324204D+01
      3  -0.201980D+01  0.187654D+01 -0.167675D+01 -0.419460D+00  0.142804D+02
                56            57            58            59            60 
      1   0.148687D+01 -0.135970D+01  0.194500D+01 -0.380969D+01 -0.557109D+01
      2   0.236408D+01  0.109690D+01  0.536304D+00 -0.216238D+01 -0.344886D+00
      3  -0.501090D+01  0.264917D+01  0.366808D+01  0.836045D+01  0.349187D+00
                61            62            63            64            65 
      1  -0.984105D+00  0.736309D+00 -0.293879D+01  0.115581D+01 -0.199584D-01
      2  -0.421730D+01 -0.286336D+00 -0.105464D+01  0.102194D+01 -0.341863D+00
      3   0.570091D+01  0.131165D+01  0.174077D+01  0.491179D+00 -0.151154D+01
                66            67            68            69            70 
      1  -0.462428D+00  0.104175D+00  0.127866D+01 -0.286673D+00 -0.244599D+00
      2   0.765875D+00 -0.210231D+00  0.479536D+00  0.760565D-01 -0.370961D+01
      3  -0.114986D+01  0.504962D+00  0.163071D+00 -0.736058D+00 -0.231163D+01
                71            72            73            74            75 
      1   0.336782D+01  0.950392D+01 -0.859419D+00  0.362135D-01  0.133070D+01
      2  -0.456587D+00  0.532425D+01  0.513190D+01  0.105220D+01  0.403250D+01
      3  -0.111218D+01  0.865066D+00  0.102929D+02 -0.120574D+00 -0.201386D+00
                76            77            78            79            80 
      1  -0.180671D+01 -0.598371D+00 -0.239402D+01  0.143971D+01  0.306267D+01
      2   0.825739D+00  0.282736D+01 -0.334284D+01 -0.842823D+00 -0.178131D+01
      3   0.746804D+01  0.153166D+02 -0.209519D+01 -0.544702D+00 -0.468527D+01
                81            82            83            84            85 
      1   0.420377D+00  0.221497D-01  0.249041D+00 -0.429511D-01  0.499520D+00
      2   0.251642D+01 -0.201880D+01 -0.807407D-01  0.455502D+00  0.831716D-01
      3   0.958079D+00  0.626829D+00 -0.341848D+00  0.114484D+00  0.150210D+01
                86            87            88            89            90 
      1  -0.433939D+00 -0.129120D+01  0.329095D+00  0.387860D+01 -0.127472D+01
      2  -0.186732D+01  0.102762D+01 -0.301276D+01  0.317411D+00 -0.132557D+02
      3  -0.620345D+00  0.150595D+01  0.205341D+00  0.280871D+01 -0.114021D+00
                91            92            93            94            95 
      1  -0.990940D+00  0.200517D+00  0.542281D+00  0.202550D+00 -0.133822D+01
      2   0.117969D+01  0.233507D+00  0.406322D-01  0.594723D+00  0.299569D+00
      3  -0.307372D+00 -0.912896D+00  0.804638D+00  0.995307D+00  0.340453D+00
                96            97            98            99           100 
      1  -0.377791D+00 -0.317363D+00  0.387974D+01 -0.664006D+01  0.223364D+01
      2  -0.672592D+00 -0.436876D+01  0.209160D+00  0.490662D+01 -0.177615D+01
      3  -0.471202D+00  0.127337D+01 -0.108944D+01 -0.619038D-01  0.891091D+01
               101           102           103           104           105 
      1  -0.873107D-01 -0.184128D+01  0.867772D+00  0.415927D+01 -0.228941D+01
      2  -0.833554D+00  0.483281D+01  0.136840D+00 -0.176672D+01  0.907728D+00
      3  -0.101659D+02 -0.139379D+01 -0.986737D+00  0.128916D+02  0.217309D+01
               106           107           108           109           110 
      1  -0.167448D+01  0.344941D+01  0.161329D+01  0.174389D+01 -0.202789D+00
      2  -0.136522D+01  0.857486D+00 -0.139209D+01  0.358311D+01 -0.410610D+00
      3  -0.390300D+01  0.405158D+01  0.815765D+00  0.307136D+01  0.270358D+01
               111           112           113           114           115 
      1   0.209810D+01 -0.166531D+01  0.743657D+01 -0.109965D+01 -0.147976D+01
      2   0.222086D+01  0.310305D+00  0.371357D+01 -0.185021D+01 -0.528416D+01
      3  -0.138699D+01  0.119107D+02 -0.148454D+02 -0.356235D+01 -0.299867D+01
               116           117           118           119           120 
      1   0.273156D+01 -0.135513D+02 -0.414042D+00  0.456046D-01  0.659946D+00
      2   0.204111D+01 -0.185139D+02 -0.108610D+01 -0.374613D+00  0.157574D+01
      3  -0.390365D+01 -0.152625D+01  0.468458D+00 -0.120191D+00  0.906289D+00
               121           122           123           124           125 
      1  -0.187184D+00 -0.951889D+00 -0.479548D+00  0.365241D+00  0.352277D+01
      2  -0.129191D+00 -0.123477D+01 -0.201924D-01 -0.364793D+01 -0.497363D+00
      3   0.197482D+01 -0.992493D+00  0.143305D+01  0.201793D+01  0.220239D+01
               126           127           128           129           130 
      1  -0.416435D+01  0.407894D-01 -0.256751D+00 -0.176955D+01  0.425382D+00
      2  -0.105296D+02 -0.476134D+00 -0.161653D+01  0.569406D+01  0.395298D+00
      3  -0.285516D+00  0.556690D+01 -0.568270D+01  0.881786D+00  0.528579D+01
               131           132           133           134           135 
      1   0.143218D+00 -0.304627D+01  0.125087D+01  0.471032D+01 -0.132237D+02
      2   0.570172D+00 -0.930709D+00 -0.107280D+01 -0.283800D+01  0.113932D+02
      3  -0.505161D+01 -0.560664D+00  0.326366D+00 -0.101115D+01  0.259144D+01
               136           137           138           139           140 
      1  -0.148292D+01  0.623716D-01 -0.386530D+00  0.619562D+00 -0.111867D+01
      2   0.218843D+01 -0.256396D-02  0.643576D+00  0.187959D+00  0.109528D+01
      3  -0.710322D+00 -0.125610D+01  0.180490D+01  0.561041D+00  0.948267D+00
               141           142           143           144           145 
      1  -0.435574D+00 -0.631794D+00  0.289568D+01 -0.940274D+01  0.307283D+01
      2  -0.153996D+00 -0.330414D+01  0.124991D+01  0.119095D+02  0.299863D+01
      3  -0.140998D+01  0.315356D+01 -0.177281D+01  0.603081D+00 -0.147626D+02
               146           147           148           149           150 
      1  -0.128858D+01  0.330675D+01 -0.105389D+01  0.131071D+01 -0.162014D+01
      2  -0.165306D+01  0.253625D+01 -0.116704D+01  0.104732D+01 -0.125303D+01
      3   0.292021D+01 -0.189631D+01  0.449092D+01 -0.273607D+01  0.156146D+00
               151           152           153           154           155 
      1   0.214768D+01 -0.951470D+00  0.636469D+00  0.131684D+01  0.754538D+00
      2   0.709267D+00 -0.118600D+01  0.578187D+00 -0.237552D+01 -0.120048D+01
      3  -0.373914D+01  0.459137D+00 -0.114672D+01 -0.997781D+01 -0.830380D+01
               156           157           158           159           160 
      1  -0.382585D+00  0.106919D+01  0.815909D+00 -0.370171D+00 -0.205318D+00
      2   0.343633D+01 -0.142191D+01 -0.173145D+01  0.263845D+01  0.179378D+01
      3   0.810749D-01 -0.760807D+01 -0.121420D+02  0.970385D+00  0.846102D+00
               161           162           163           164           165 
      1   0.815913D+00  0.333742D+00 -0.527436D+00  0.497694D+00  0.273927D+00
      2   0.948599D+00 -0.134633D-01  0.466105D+00 -0.164362D+00 -0.256455D+00
      3   0.217635D+01 -0.821510D+00 -0.405857D+01  0.414797D+01  0.850272D+00
               166           167           168           169           170 
      1   0.434630D+00 -0.280297D+01 -0.338045D+01 -0.289921D+00 -0.132910D+01
      2  -0.339897D+00  0.788939D+00  0.152470D+01 -0.886796D+00  0.124416D+01
      3   0.582120D+01 -0.169323D+02 -0.165922D+01  0.177307D+01 -0.321102D+01
               171           172           173           174           175 
      1  -0.485871D+00 -0.117784D+01 -0.982311D+00 -0.178559D+01  0.888661D+00
      2   0.137150D+00 -0.447588D+01 -0.103112D+01  0.686882D+01  0.404477D+00
      3  -0.106515D+01 -0.902979D+01 -0.124972D+02  0.184455D+01 -0.769362D+01
               176           177           178           179           180 
      1   0.147761D+01 -0.351590D+01  0.217490D+01  0.390494D+01  0.423400D+00
      2  -0.169412D+01 -0.176090D+01  0.220988D+01  0.967895D-01 -0.354365D+01
      3   0.191097D+02  0.124796D+01  0.204306D+01  0.380095D+01 -0.205993D+01
               181           182           183           184           185 
      1  -0.153375D+01  0.585045D+00  0.765800D+00  0.958367D+00 -0.517734D+01
      2  -0.144155D+01  0.582137D+00  0.140902D+01  0.502753D+00 -0.220249D+01
      3   0.262635D+01 -0.701921D+00  0.695106D+00  0.607378D+00  0.206485D+02
               186           187           188           189           190 
      1  -0.454215D+01  0.973412D+00 -0.166808D+01 -0.419144D+00  0.211331D+01
      2  -0.277673D+01  0.530142D+00 -0.308243D+01  0.291825D+00  0.358680D+01
      3   0.204977D+01  0.165007D+01  0.325239D+01  0.243604D+01 -0.250912D+00
               191           192           193           194           195 
      1  -0.290794D-01  0.232032D-03 -0.141703D+00  0.112086D+01  0.632203D+00
      2  -0.165956D+00 -0.185505D+00 -0.711181D+00  0.258758D+01  0.996271D+00
      3  -0.134436D+01 -0.159258D+01 -0.103991D+01  0.150951D+01 -0.217365D+01
               196           197           198           199           200 
      1   0.972198D+00  0.279248D+01  0.129885D+02  0.998999D+00  0.153754D-01
      2  -0.238947D+01 -0.224915D+01  0.218974D+02 -0.189594D+01 -0.288778D-01
      3  -0.239849D+01 -0.318404D+01  0.186141D+01 -0.275424D+00  0.145517D+00
               201           202           203           204           205 
      1   0.960202D+00  0.505463D+00  0.227289D+01 -0.291268D+01 -0.248788D+01
      2  -0.834072D+00 -0.656549D+00 -0.212451D+01  0.264394D+01  0.695875D-01
      3  -0.116779D+01  0.433808D+00 -0.185046D+01  0.143781D+01 -0.251432D+01
               206           207           208           209           210 
      1  -0.389397D+01  0.150196D+02 -0.353991D+00  0.235670D+00 -0.680178D+00
      2   0.548282D+01 -0.130752D+02  0.281745D+00  0.160590D+00  0.366873D+00
      3   0.337435D+01 -0.307469D+01 -0.432957D+01  0.361212D+01  0.332154D+00
               211           212           213           214           215 
      1   0.678974D-01 -0.313954D+01  0.153631D+00 -0.533605D+00  0.885030D+00
      2  -0.460018D+00 -0.588739D+00  0.387548D+01 -0.212354D-01  0.144253D+01
      3   0.439228D+01 -0.269196D+02  0.524614D+00  0.911406D+00 -0.142336D+01
               216 
      1   0.273261D-01
      2  -0.749139D+00
      3  -0.995552D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.137129D+00 -0.685414D+01  0.205519D+00 -0.542285D+01  0.757014D+01
      2   0.328764D+01  0.885773D+01 -0.437305D+00  0.668966D+01 -0.169973D+02
      3  -0.315051D+01 -0.200359D+01  0.231786D+00 -0.126680D+01  0.942714D+01
      4  -0.507129D+01 -0.120898D+01 -0.852961D+00 -0.699731D+01  0.765350D+01
      5   0.140588D+01 -0.833282D+00 -0.200650D+00 -0.205572D+01  0.178365D+01
      6   0.152538D+00  0.139959D+01  0.333904D+00  0.211616D+01 -0.613935D+01
                 6             7             8             9            10 
      1   0.237171D+01  0.135050D+01  0.369866D+01  0.783778D+01 -0.150356D+02
      2  -0.216806D+01  0.164502D+00 -0.942517D+01  0.406650D+01  0.630249D+01
      3  -0.203649D+00 -0.151500D+01  0.572652D+01 -0.119043D+02  0.873314D+01
      4   0.213582D+01 -0.196717D+01  0.344638D+01  0.182371D+00  0.830044D+01
      5  -0.155711D+00  0.118164D+01  0.137385D+01 -0.117489D+02 -0.702525D+01
      6  -0.491257D+01 -0.157240D+00 -0.256536D+01  0.222158D+02  0.457379D+00
                11            12            13            14            15 
      1   0.441301D+01 -0.220035D+01  0.926331D+01  0.837183D+01  0.136820D+01
      2  -0.149087D+01  0.350366D+01 -0.564942D+01 -0.429347D+01 -0.162581D+01
      3  -0.292214D+01 -0.130331D+01 -0.361390D+01 -0.407836D+01  0.257611D+00
      4  -0.893581D+00  0.126684D+01  0.585742D+01 -0.652745D+01 -0.224692D+01
      5   0.963764D+00 -0.137461D+01  0.272728D+01 -0.115082D+01 -0.374105D+01
      6  -0.150193D+01  0.161927D+01 -0.934694D+00  0.135337D+00  0.428833D+00
                16            17            18            19            20 
      1  -0.981622D+01  0.144410D+01  0.549816D+01 -0.449874D+01  0.958856D+00
      2   0.313807D+01 -0.150395D+01  0.752434D+01 -0.809438D+00 -0.611487D+01
      3   0.667814D+01  0.598507D-01 -0.130225D+02  0.530818D+01  0.515601D+01
      4   0.475283D+01 -0.316722D+01 -0.221362D+01 -0.425950D+01 -0.826435D+01
      5  -0.224431D+01 -0.204165D+01  0.321772D+02  0.283210D+01  0.130335D+01
      6   0.392323D+00  0.322564D+00  0.602776D+00  0.412582D+00  0.105442D+01
                21            22            23            24            25 
      1  -0.321288D+00 -0.563431D+01 -0.442641D+01 -0.164324D+01  0.227643D+01
      2  -0.199799D+01  0.364862D+00  0.320518D+01  0.320005D+00  0.660135D+00
      3   0.231928D+01  0.526944D+01  0.122123D+01  0.132324D+01 -0.293656D+01
      4   0.881409D+00 -0.943356D+01 -0.574615D+00  0.442618D+00  0.356954D+01
      5  -0.273273D+01  0.176266D+01  0.777689D+00  0.914630D-01  0.251550D+00
      6  -0.594878D+00  0.231654D+00  0.268413D+01 -0.421383D+00 -0.237406D+00
                26            27            28            29            30 
      1   0.289101D-01  0.599219D+01 -0.118738D+02  0.885840D+01 -0.411539D+01
      2   0.180317D+01  0.872522D+01  0.490314D+01 -0.639901D+01  0.954637D+00
      3  -0.183208D+01 -0.147174D+02  0.697069D+01 -0.245938D+01  0.316075D+01
      4   0.366878D+01  0.110497D+01  0.172718D+01 -0.774258D+01  0.315909D+01
      5   0.390180D+00 -0.112724D+02 -0.489894D+01  0.171468D+01 -0.837714D+01
      6   0.224770D+01 -0.134816D+02  0.406754D+01 -0.110704D+01  0.113648D+01
                31            32            33            34            35 
      1   0.643370D+01  0.338099D+01 -0.268538D+01 -0.274144D+01  0.466499D+00
      2  -0.421445D+01 -0.287575D+01 -0.103358D+00 -0.112707D+01  0.134819D+01
      3  -0.221925D+01 -0.505239D+00  0.278874D+01  0.386851D+01 -0.181469D+01
      4  -0.583988D+01 -0.134807D+02 -0.192782D+01  0.234123D+01 -0.221958D+01
      5   0.537756D+00 -0.134009D+01 -0.425822D+01 -0.270278D+01  0.287947D+00
      6  -0.732035D+00  0.161928D+01 -0.156138D+01  0.986453D+00 -0.519235D+00
                36            37            38            39            40 
      1   0.586549D+01  0.744354D+00 -0.212795D+01 -0.117393D+01  0.252522D+00
      2   0.603008D+01  0.127393D+01  0.174126D+01 -0.391822D+00  0.633504D+00
      3  -0.118956D+02 -0.201829D+01  0.386689D+00  0.156576D+01 -0.886027D+00
      4   0.544631D+00 -0.423313D+01  0.147320D+02 -0.199327D+01  0.125748D+02
      5   0.250398D+02  0.136521D+01 -0.155470D+00  0.169495D+02 -0.119393D+01
      6  -0.100982D+02 -0.224135D+01  0.171933D+01  0.179854D+01 -0.282627D+00
                41            42            43            44            45 
      1  -0.141700D+02  0.404333D+01  0.926962D+00  0.263992D+01 -0.675686D+01
      2   0.192305D+02 -0.132444D+01 -0.188556D+01 -0.331021D+01 -0.442148D+00
      3  -0.506051D+01 -0.271889D+01  0.958594D+00  0.670297D+00  0.719901D+01
      4   0.247276D+01 -0.183172D+00 -0.690208D+01 -0.392363D+00 -0.129522D+01
      5  -0.541881D+00  0.166606D+01  0.432534D+01 -0.185226D+00  0.170047D+01
      6  -0.373943D+01  0.480582D+01 -0.940320D+00  0.687821D+01  0.803917D+00
                46            47            48            49            50 
      1  -0.796593D+01  0.361615D+01  0.402061D+01 -0.572167D+01 -0.449970D+01
      2   0.383927D+01 -0.782110D+01 -0.129304D+01 -0.168405D+01 -0.246084D+01
      3   0.412666D+01  0.420495D+01 -0.272757D+01  0.740572D+01  0.696054D+01
      4   0.328843D+01 -0.182606D+02 -0.462070D+00 -0.168187D+02 -0.184750D+01
      5   0.107725D+01 -0.523133D+00 -0.908971D+01  0.157977D+01  0.139801D+01
      6   0.298522D+00 -0.182110D+01 -0.201894D+01  0.669613D+00  0.232724D+01
                51            52            53            54            55 
      1  -0.160995D+01  0.361417D+01 -0.499056D+00  0.909488D+01 -0.410908D+01
      2  -0.149651D-01  0.145775D+01  0.575431D+01  0.797932D+01 -0.240599D+01
      3   0.162492D+01 -0.507191D+01 -0.525525D+01 -0.170742D+02  0.651507D+01
      4   0.223543D+01  0.254741D+01  0.234839D+01  0.129714D+01  0.201564D+02
      5   0.496612D+01 -0.227122D+01 -0.425989D+00 -0.268006D+02 -0.222096D+01
      6  -0.649757D+00 -0.761015D-01 -0.100430D+01 -0.228439D+02  0.664413D+01
                56            57            58            59            60 
      1   0.374565D+00 -0.254870D+01  0.343272D+01 -0.303827D+02 -0.612323D+01
      2   0.460647D+01  0.677207D+00 -0.234166D+01  0.471072D+02  0.558628D+01
      3  -0.498103D+01  0.187149D+01 -0.109106D+01 -0.167245D+02  0.536941D+00
      4  -0.368188D+01  0.546684D+01  0.316172D+01 -0.140636D+02 -0.389021D+01
      5   0.105870D+01  0.353395D+01  0.130558D+01 -0.301951D+01 -0.121449D+01
      6  -0.161864D+01  0.199205D+01 -0.257385D+01  0.111928D+02  0.104400D+02
                61            62            63            64            65 
      1  -0.162298D+01 -0.891173D+01 -0.858068D+01 -0.170394D+00  0.567427D+00
      2  -0.212347D+01  0.147116D+02  0.480439D+01 -0.317007D+01 -0.800759D+00
      3   0.374645D+01 -0.579985D+01  0.377629D+01  0.334046D+01  0.233332D+00
      4   0.102143D+02 -0.960131D+01 -0.211243D+01  0.901115D+00  0.208233D+01
      5   0.349593D+01 -0.379714D+01 -0.228711D+01  0.137989D+01 -0.995068D+00
      6  -0.358853D+00  0.143456D+02  0.634689D+01 -0.328137D+01 -0.442907D+00
                66            67            68            69            70 
      1   0.174681D+01  0.695970D+00 -0.426379D+01  0.293181D+01  0.179393D+01
      2  -0.719799D+00 -0.908262D+00  0.270982D+01 -0.347598D+01 -0.588522D+00
      3  -0.102701D+01  0.212292D+00  0.155396D+01  0.544166D+00 -0.120541D+01
      4  -0.268347D+01  0.183544D+01 -0.138534D+01  0.140102D+01 -0.334844D+01
      5   0.600546D+01 -0.206585D+00  0.128219D+01  0.573782D-01  0.380878D+01
      6   0.950197D+00 -0.288355D-01 -0.407240D+01  0.625291D+01 -0.313395D+00
                71            72            73            74            75 
      1   0.495349D+01 -0.156824D+02  0.257825D+02 -0.203350D+02  0.530792D+01
      2  -0.440982D+01 -0.118772D+02 -0.139693D+02  0.104521D+02 -0.577875D+01
      3  -0.543669D+00  0.275596D+02 -0.118133D+02  0.988283D+01  0.470824D+00
      4   0.280750D+01 -0.595702D+00 -0.256744D+02  0.479038D+01 -0.848784D+00
      5  -0.125445D+01  0.104905D+02  0.985484D+01 -0.450377D+00  0.708144D+01
      6   0.637621D+01 -0.228550D+02 -0.251552D+01  0.652432D+00 -0.237368D+01
                76            77            78            79            80 
      1  -0.372395D+02 -0.598854D+01 -0.519672D+00  0.167575D+02  0.220406D+00
      2   0.207316D+02  0.757665D+01  0.103943D+01 -0.106825D+02 -0.546219D-02
      3   0.165078D+02 -0.158811D+01 -0.519758D+00 -0.607495D+01 -0.214944D+00
      4   0.572333D+01 -0.194450D+02  0.503830D+01 -0.314116D+01  0.651072D+01
      5  -0.309263D+01  0.538674D+01 -0.521258D+01  0.143646D+02 -0.424153D+01
      6   0.436633D+00 -0.197601D+01  0.509407D+01 -0.258010D+01  0.418820D+01
                81            82            83            84            85 
      1   0.417444D+01  0.264195D+01 -0.990584D+00 -0.450339D+01 -0.636875D+00
      2  -0.719308D+01 -0.429721D+01  0.507379D+00  0.303309D+01  0.228568D+00
      3   0.301865D+01  0.165526D+01  0.483205D+00  0.147031D+01  0.408308D+00
      4  -0.455354D+01 -0.946403D+00  0.944906D+00  0.190690D+00  0.130870D+01
      5   0.552984D+01 -0.507939D+01 -0.291477D+00  0.623315D+01 -0.535448D+00
      6  -0.116863D+01  0.242941D+00 -0.927996D-01  0.223263D+00 -0.109500D+01
                86            87            88            89            90 
      1  -0.368548D+01  0.234406D+00 -0.654101D+01  0.887062D-01 -0.131262D+02
      2   0.150744D+00  0.865453D+00  0.582935D+01  0.632916D+00 -0.154409D+02
      3   0.353474D+01 -0.109986D+01  0.711661D+00 -0.721623D+00  0.285671D+02
      4   0.167876D+01 -0.425818D+01  0.962011D-01 -0.478464D+01  0.109197D+01
      5  -0.446679D+01  0.225172D+01  0.752283D+01  0.141276D+01 -0.308204D+02
      6  -0.625871D-01  0.722981D+01 -0.120605D+00  0.429570D+01  0.131951D+01
                91            92            93            94            95 
      1  -0.232019D+00 -0.299545D+00  0.198440D+01 -0.409361D+00 -0.200601D+01
      2  -0.263297D+01  0.615620D+00 -0.646556D+00  0.638111D+00 -0.108853D+01
      3   0.286499D+01 -0.316075D+00 -0.133785D+01 -0.228750D+00  0.309454D+01
      4  -0.164647D+00  0.224784D+01  0.155602D+01  0.271173D+01 -0.811068D-01
      5   0.191446D+01  0.172845D+00  0.538645D+01 -0.123941D+00  0.137988D+01
      6   0.182302D+01 -0.772810D-01 -0.756281D+00  0.276985D+00  0.166465D+01
                96            97            98            99           100 
      1  -0.767744D+00  0.200082D+01 -0.197235D+01 -0.159711D+02  0.225975D+02
      2   0.231191D+01 -0.163723D+01  0.267414D+01 -0.148583D+02 -0.838323D+01
      3  -0.154416D+01 -0.363598D+00 -0.701788D+00  0.308293D+02 -0.142143D+02
      4   0.157965D+01  0.248541D+01  0.258130D+01  0.324806D+00  0.208454D+02
      5  -0.891220D+00  0.462657D+01  0.364132D+00  0.114047D+02 -0.402000D+01
      6   0.570340D+01  0.574020D+00  0.434576D+01  0.134687D+02 -0.296951D+01
               101           102           103           104           105 
      1  -0.424577D+01 -0.217283D+01 -0.100458D+01  0.149622D+02  0.380417D+01
      2   0.125480D+02  0.322230D+01  0.644176D+01 -0.148836D+02 -0.382493D+01
      3  -0.830225D+01 -0.104946D+01 -0.543718D+01 -0.785708D-01  0.207619D-01
      4   0.216192D+02 -0.219940D+01  0.175341D+02  0.677997D+00 -0.277665D+01
      5  -0.549676D+00  0.844651D+01 -0.687103D+00 -0.411996D+01  0.110470D+01
      6   0.119289D+00  0.298081D+01 -0.267871D-01 -0.571752D+01  0.474118D+01
               106           107           108           109           110 
      1  -0.484400D+01  0.505884D+01  0.489538D-03 -0.480602D+01 -0.114515D+02
      2   0.188875D+01 -0.861537D+01 -0.285589D+01  0.502968D+01  0.510442D+01
      3   0.295525D+01  0.355653D+01  0.285540D+01 -0.223663D+00  0.634710D+01
      4  -0.607106D+01 -0.756161D+01  0.453705D+01 -0.145379D+02  0.245754D+01
      5   0.835921D+01  0.288410D+01 -0.232375D+01  0.125348D+02 -0.224853D+01
      6   0.526327D+01  0.556348D+01 -0.306708D+01 -0.696093D+01  0.366205D+01
               111           112           113           114           115 
      1   0.453611D+01 -0.218844D+02  0.109186D+02  0.249246D+01  0.171526D+02
      2  -0.534696D+01  0.173714D+02 -0.290184D+02 -0.658733D+01 -0.678562D+01
      3   0.810851D+00  0.451299D+01  0.180998D+02  0.409487D+01 -0.103670D+02
      4  -0.514004D+01 -0.694960D+01  0.338446D+02  0.661590D+01 -0.221576D+01
      5   0.558000D+00  0.940162D+00  0.662190D+01 -0.329264D+01 -0.293880D+01
      6  -0.387492D+01  0.947167D+00 -0.411058D+01  0.166206D+00  0.680411D+00
               116           117           118           119           120 
      1   0.161118D+01  0.133228D+02  0.243858D+01 -0.154736D+01 -0.227751D+01
      2  -0.517616D+01  0.826527D+01 -0.392028D+01  0.871519D+00  0.160615D+01
      3   0.356498D+01 -0.215880D+02  0.148170D+01  0.675837D+00  0.671361D+00
      4   0.788542D+01  0.378035D+01 -0.222399D+01  0.237117D+01  0.106095D+01
      5   0.342464D+01 -0.393101D+02 -0.297384D+01 -0.847403D-01  0.767079D+01
      6  -0.172837D+01  0.173613D+02  0.118375D+01  0.975703D-01 -0.890667D+00
               121           122           123           124           125 
      1  -0.129606D+01 -0.375755D+01 -0.895610D+00 -0.409754D+01 -0.128950D+01
      2   0.421870D+00  0.886484D+00  0.142523D+01  0.529621D+01  0.711649D+00
      3   0.874187D+00  0.287106D+01 -0.529624D+00 -0.119866D+01  0.577849D+00
      4   0.253714D+01  0.397371D+00 -0.204828D+01  0.277112D+01 -0.237588D+01
      5  -0.615971D-01 -0.290259D+01  0.458983D+00  0.663806D+01 -0.117557D+01
      6  -0.515932D+00  0.171729D+01  0.662864D+01 -0.117246D+01  0.477674D+01
               126           127           128           129           130 
      1  -0.156470D+02  0.174178D+02  0.273330D+01  0.537395D+00  0.454062D+01
      2  -0.132758D+02 -0.314400D+00  0.865712D+01  0.366663D+00  0.719903D+01
      3   0.289228D+02 -0.171034D+02 -0.113904D+02 -0.904057D+00 -0.117396D+02
      4  -0.109502D+01  0.246088D+02  0.276045D+02 -0.704818D+00  0.263119D+02
      5  -0.200792D+02 -0.183736D+01 -0.966123D+00  0.774895D+01  0.132937D+00
      6   0.103614D+02 -0.354043D+00 -0.125754D+01  0.398859D+01  0.551897D+00
               131           132           133           134           135 
      1  -0.591061D+01 -0.890396D+00 -0.189914D+00 -0.361175D+01  0.556633D+01
      2   0.262623D+02  0.165047D+01  0.992985D+00  0.350855D+01 -0.215731D+01
      3  -0.203517D+02 -0.760072D+00 -0.803071D+00  0.103193D+00 -0.340901D+01
      4   0.296709D+02  0.124982D+01  0.373923D+01  0.550878D+01 -0.707620D+00
      5   0.107902D+01 -0.866813D+00  0.507795D+01 -0.189444D+01  0.191454D+02
      6   0.111309D+01  0.342611D+01  0.169854D+01  0.240767D+00  0.229192D+02
               136           137           138           139           140 
      1  -0.957774D-01  0.556668D+00  0.342837D+01 -0.417474D+00 -0.296081D+01
      2  -0.267151D+01  0.335085D-01 -0.158831D+01  0.110958D+01  0.981897D+00
      3   0.276729D+01 -0.590176D+00 -0.184006D+01 -0.692106D+00  0.197891D+01
      4   0.106646D+01  0.379889D+01  0.296053D+01  0.379238D+01  0.148426D+01
      5   0.380008D+01  0.745376D+00  0.702094D+01 -0.104238D+00  0.262674D+01
      6   0.342565D+01 -0.136837D+00  0.544251D+00  0.204040D+00  0.366094D+01
               141           142           143           144           145 
      1  -0.209023D+01  0.263003D+01 -0.411952D+01 -0.166394D+02  0.103299D+02
      2   0.315344D+01 -0.319273D+01  0.230587D+01 -0.131187D+02  0.519312D+01
      3  -0.106321D+01  0.562695D+00  0.181365D+01  0.297581D+02 -0.155230D+02
      4   0.218730D+01  0.523731D+01  0.500619D+01  0.278285D+01 -0.308201D+02
      5  -0.515649D+00  0.735936D+01  0.326610D+01  0.223608D+02  0.783352D-01
      6   0.663195D+01  0.268816D+01  0.754659D+01  0.227741D+02 -0.318207D+01
               146           147           148           149           150 
      1   0.183000D+00  0.182823D+01 -0.565810D+00 -0.180034D+01  0.348724D+00
      2  -0.121390D+02  0.250857D+00 -0.657989D+01  0.103131D+02 -0.153345D+01
      3   0.119560D+02 -0.207909D+01  0.714570D+01 -0.851273D+01  0.118473D+01
      4   0.217857D+02 -0.284609D+01  0.145008D+02 -0.123491D+02  0.155467D+01
      5   0.346357D+00  0.306231D+01  0.189501D+00  0.477552D+00 -0.165568D+01
      6   0.576451D+00 -0.515714D+01  0.978717D+00 -0.131754D+01  0.272257D+01
               151           152           153           154           155 
      1   0.158162D+01  0.117036D+01 -0.314563D+00  0.420462D+02  0.147563D+02
      2   0.130040D+01 -0.381867D+01  0.756870D+00 -0.228950D+02 -0.850495D+01
      3  -0.288202D+01  0.264831D+01 -0.442307D+00 -0.191512D+02 -0.625136D+01
      4  -0.654655D+01  0.460139D+01 -0.455868D+01  0.116816D+02  0.110003D+02
      5   0.376524D+01 -0.226378D+01  0.930487D+00  0.441505D+00  0.847066D-01
      6  -0.426516D+01  0.442611D+01 -0.113821D+01  0.110109D+01  0.938582D+00
               156           157           158           159           160 
      1  -0.960433D+00  0.281371D+02  0.117916D+02  0.354992D+00 -0.555306D+01
      2   0.176140D-01 -0.158679D+02 -0.518505D+01 -0.631961D+00  0.316418D+01
      3   0.942819D+00 -0.122692D+02 -0.660653D+01  0.276969D+00  0.238888D+01
      4  -0.220699D+00  0.125131D+02  0.136099D+02 -0.121237D+01 -0.102857D+01
      5   0.567837D+01  0.130695D+01 -0.129447D+01  0.409142D+01  0.708192D+01
      6   0.594241D-01  0.115927D+01  0.985292D+00  0.208926D+00  0.578933D+00
               161           162           163           164           165 
      1  -0.135545D+01  0.409117D+01 -0.156418D+01  0.543152D+01  0.768980D+00
      2   0.650143D+00 -0.374377D+01  0.274185D+01 -0.647987D+01 -0.746547D+00
      3   0.705307D+00 -0.347400D+00 -0.117767D+01  0.104836D+01 -0.224336D-01
      4  -0.213281D+01  0.179861D+01 -0.730826D+00  0.257522D+00  0.559278D+00
      5   0.220593D+01  0.978582D-01  0.528584D+00 -0.242536D+00 -0.232564D+00
      6   0.125147D+01 -0.378693D+00  0.110062D+01 -0.418176D+00 -0.194776D+00
               166           167           168           169           170 
      1   0.433184D+01 -0.239812D+02 -0.174230D+01  0.115225D+01 -0.418157D+01
      2  -0.104114D+01  0.399384D+02  0.295091D+01 -0.722618D+00  0.593516D+01
      3  -0.329070D+01 -0.159571D+02 -0.120861D+01 -0.429634D+00 -0.175360D+01
      4   0.616851D+01  0.215071D+02  0.137077D+01  0.117925D+01  0.360907D+01
      5  -0.208807D+00  0.235297D+01  0.290395D+01  0.120324D+01  0.242041D+01
      6  -0.228722D+00  0.313970D+01  0.482912D+01  0.606528D+00  0.615283D+01
               171           172           173           174           175 
      1  -0.349902D+01  0.715898D+02  0.314984D+01 -0.716456D+01  0.226375D+01
      2   0.317679D+01 -0.413552D+02 -0.859457D+00  0.761954D+01 -0.293897D+01
      3   0.322229D+00 -0.302345D+02 -0.229038D+01 -0.454978D+00  0.675221D+00
      4   0.228032D+01 -0.335570D+01  0.125788D+02  0.213309D+01  0.199844D+02
      5   0.286553D+00 -0.129657D+02  0.612648D+00  0.121286D+02  0.268464D+00
      6   0.128651D+01  0.329640D+01 -0.160685D+01  0.143242D+01 -0.123740D+01
               176           177           178           179           180 
      1   0.113530D+02  0.198031D+01 -0.184857D+02 -0.555828D+00  0.863766D+01
      2  -0.141573D+01  0.108819D+01  0.116282D+02 -0.187421D+00 -0.117740D+02
      3  -0.993722D+01 -0.306851D+01  0.685755D+01  0.743249D+00  0.313633D+01
      4  -0.263681D+02 -0.438081D+01  0.776377D+00 -0.484231D+01 -0.136692D+01
      5  -0.466906D+01 -0.363727D+01  0.200857D+02  0.694542D+00 -0.744090D+01
      6   0.151334D+01  0.673672D+01 -0.242162D+01  0.348217D+01 -0.305368D+00
               181           182           183           184           185 
      1   0.253476D+01 -0.648587D+01 -0.286948D+01 -0.563033D+01 -0.179311D+02
      2   0.356740D+01  0.122478D+01  0.955940D+00 -0.442500D+01  0.435111D+02
      3  -0.610216D+01  0.526108D+01  0.191354D+01  0.100553D+02 -0.255800D+02
      4  -0.891288D+01  0.108295D+02  0.162383D+01  0.189148D+02 -0.485823D+02
      5  -0.261713D+01  0.455568D+00  0.250850D+01  0.360448D+00 -0.359419D+01
      6   0.168997D+01 -0.409943D+00 -0.908289D+00  0.451533D-01  0.199342D+01
               186           187           188           189           190 
      1  -0.177787D+01 -0.477020D+01 -0.271878D+01 -0.353103D+01  0.788485D+00
      2   0.416048D+01  0.101593D+01  0.637210D+01  0.296458D+01 -0.409867D+01
      3  -0.238261D+01  0.375427D+01 -0.365333D+01  0.566447D+00  0.331018D+01
      4  -0.392967D+01  0.449728D+01 -0.822484D+01 -0.659787D+01  0.700647D+00
      5  -0.548294D+01  0.373727D+01 -0.664795D+01  0.832247D+00  0.693620D+01
      6   0.634836D+01 -0.210053D+01  0.767377D+01  0.166446D+01 -0.216164D+01
               191           192           193           194           195 
      1   0.127782D+01  0.767754D+01  0.480137D+01 -0.417653D+01  0.112622D+01
      2  -0.110311D+01 -0.407636D+01 -0.372110D+01  0.328126D+01 -0.263626D+01
      3  -0.174711D+00 -0.360117D+01 -0.108027D+01  0.895264D+00  0.151004D+01
      4   0.147375D+01 -0.223149D+01  0.156173D+01 -0.451397D+01  0.453670D+01
      5  -0.594071D+00  0.598328D+01  0.262175D+00  0.493457D+01  0.224521D+01
      6  -0.472017D+00  0.406892D+00  0.570600D+00 -0.173463D+01  0.446676D+01
               196           197           198           199           200 
      1   0.914478D+01  0.303375D+01 -0.180520D+02  0.141071D+01  0.236330D+01
      2  -0.740773D+01 -0.170031D+01 -0.143677D+02 -0.130852D+01 -0.154046D+01
      3  -0.173705D+01 -0.133345D+01  0.324197D+02 -0.102192D+00 -0.822848D+00
      4  -0.431575D+01  0.618596D+01 -0.568025D+01  0.197837D+01  0.136742D+01
      5   0.104853D+02 -0.563563D+01  0.458678D+02 -0.195557D+01 -0.570940D+00
      6  -0.271734D+01  0.760458D+01 -0.203137D+02 -0.219975D+01  0.833452D+00
               201           202           203           204           205 
      1  -0.334166D+01  0.581469D+00 -0.472805D+01  0.250757D+01 -0.382061D+01
      2   0.158288D+01  0.609069D+00  0.675459D+01 -0.430429D+01  0.103392D+01
      3   0.175877D+01 -0.119054D+01 -0.202654D+01  0.179672D+01  0.278669D+01
      4  -0.201051D+01  0.250077D+01  0.446243D+01 -0.344497D+01 -0.827781D+01
      5   0.550967D+00 -0.963058D+00 -0.313033D+01  0.415103D+01  0.567480D+01
      6  -0.192024D+01 -0.125309D+01 -0.544811D+01  0.700283D+01  0.454121D+01
               206           207           208           209           210 
      1   0.631046D+01 -0.100136D+02  0.209393D+00  0.628721D+01  0.126978D+01
      2  -0.758598D+01  0.186514D+01  0.107164D+01 -0.256132D+01 -0.598167D+00
      3   0.127552D+01  0.814844D+01 -0.128103D+01 -0.372589D+01 -0.671612D+00
      4  -0.102966D+02  0.896376D+01  0.656821D+01 -0.689940D+00 -0.256506D+00
      5   0.913535D+01 -0.223577D+02  0.119161D+01 -0.544098D+00  0.715088D+00
      6   0.133110D+02 -0.271260D+02 -0.299544D-01 -0.900960D-01  0.122371D+01
               211           212           213           214           215 
      1   0.205340D+02 -0.114599D+01 -0.175727D+01  0.227004D+01 -0.448724D+00
      2  -0.118775D+02  0.124272D+01  0.155700D+01 -0.124838D+01  0.391766D+00
      3  -0.865644D+01 -0.967268D-01  0.200270D+00 -0.102166D+01  0.569583D-01
      4  -0.921442D+00  0.326514D+02 -0.302320D+00 -0.393206D+00  0.143927D+01
      5  -0.214065D+01  0.128791D+00  0.693624D+01  0.364422D+01  0.259568D+01
      6   0.467696D+00 -0.101993D+01 -0.106430D+01  0.343552D+00  0.198781D+01
               216 
      1   0.896088D+00
      2  -0.189041D+01
      3   0.994327D+00
      4   0.208805D+01
      5  -0.167580D+01
      6   0.602044D-01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.131776D+01      0.334940D+01      0.111724D+02
   x         -0.113523D+01     -0.288546D+01     -0.962485D+01
   y          0.398650D+00      0.101327D+01      0.337990D+01
   z          0.537424D+00      0.136600D+01      0.455647D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.928538D+02      0.137595D+02      0.153095D+02
   aniso      0.245424D+02      0.363681D+01      0.404650D+01
   xx         0.105979D+03      0.157044D+02      0.174735D+02
   yx         0.114144D+01      0.169144D+00      0.188198D+00
   yy         0.945386D+02      0.140092D+02      0.155873D+02
   zx        -0.254045D+00     -0.376456D-01     -0.418864D-01
   zy        -0.148329D+01     -0.219801D+00     -0.244561D+00
   zz         0.780443D+02      0.115650D+02      0.128678D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.996624D+02      0.147684D+02      0.164321D+02
   aniso      0.239489D+02      0.354886D+01      0.394864D+01
   xx         0.112532D+03      0.166756D+02      0.185541D+02
   yx         0.892261D+00      0.132219D+00      0.147114D+00
   yy         0.101200D+03      0.149963D+02      0.166856D+02
   zx        -0.253400D+00     -0.375500D-01     -0.417800D-01
   zy        -0.159153D+01     -0.235841D+00     -0.262408D+00
   zz         0.852548D+02      0.126335D+02      0.140566D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.46931091          2.02747399          1.58195940
     6         -1.10579135         -0.40903642          2.94755119
     6          1.40243364          1.49971992         -0.52409182
     6          0.38182666         -0.55958918         -2.27834944
     8         -0.14788523         -2.77139472         -0.82398702
     6         -2.00752676         -2.39563240          1.05196742
     8          0.64666279          3.85330801          3.20653699
     1         -2.20909908          2.79314114          0.75012765
     8         -2.99412884          0.14617922          4.76506721
     1          0.61021455         -1.13229358          3.86791735
     1          3.16961158          0.81670938          0.32022244
     8          1.87591637          3.71579653         -1.97213244
     6          2.25393390         -1.31475292         -4.33387510
     1         -1.35359492          0.12154548         -3.18874467
     8         -2.49853466         -4.70414972          2.23212530
     1         -3.80018472         -1.79511092          0.20201081
     1         -0.50218887          4.15209055          4.58974911
     1         -3.55491245         -1.42930919          5.49312600
     1          2.27338563          5.05958025         -0.80386280
     8          2.50367489          0.56289923         -6.21628078
     1          1.55472097         -3.01685517         -5.25979082
     1          4.07806013         -1.77192234         -3.45511516
     1         -0.89240978         -5.46431830          2.65743091
     1          2.80733791          2.15654477         -5.37469792

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.131776D+01      0.334940D+01      0.111724D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.131776D+01      0.334940D+01      0.111724D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.928538D+02      0.137595D+02      0.153095D+02
   aniso      0.245424D+02      0.363681D+01      0.404650D+01
   xx         0.843748D+02      0.125031D+02      0.139115D+02
   yx         0.472793D+01      0.700607D+00      0.779531D+00
   yy         0.946838D+02      0.140307D+02      0.156112D+02
   zx        -0.108329D+02     -0.160527D+01     -0.178610D+01
   zy        -0.116012D+01     -0.171912D+00     -0.191278D+00
   zz         0.995029D+02      0.147448D+02      0.164058D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.996624D+02      0.147684D+02      0.164321D+02
   aniso      0.239489D+02      0.354886D+01      0.394864D+01
   xx         0.913420D+02      0.135355D+02      0.150603D+02
   yx         0.437560D+01      0.648397D+00      0.721439D+00
   yy         0.101367D+03      0.150210D+02      0.167131D+02
   zx        -0.106288D+02     -0.157502D+01     -0.175245D+01
   zy        -0.105510D+01     -0.156350D+00     -0.173963D+00
   zz         0.106278D+03      0.157488D+02      0.175230D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U22-24\Freq\RM11\Gen\C6H12O6\PIERPA\12-Aug-2021\0\\#P M11
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 19,0.0118713,0.0144976,-0.0294493,-0.0136089,0.0203195,-0.0348875,-0.1
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 83,0.0398471,-0.0270747,0.2578162\Polar=105.9785683,1.1414391,94.53856
 8,-0.2540451,-1.4832899,78.0443162\Quadrupole=-4.4671977,1.3236227,3.1
 43575,2.0777669,-0.2025556,-2.2986577\PG=C01 [X(C6H12O6)]\NImag=0\\0.5
 1431522,-0.00474028,0.48201985,0.01181795,-0.01866237,0.59015918,-0.12
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 31,0.01677718,-0.10199477,0.00752443,-0.00574431,0.00433600,0.00113330
 ,0.00676677,0.58967673,-0.00150421,0.03014196,0.01388844,0.00100224,0.
 00368909,0.00180860,-0.09023375,0.03584141,0.00676252,0.49127039,0.015
 84727,-0.01345523,-0.00215988,0.00389547,0.00371019,0.00181393,0.03342
 595,-0.14209022,-0.03945142,-0.03070602,0.45740193,0.00038455,0.008505
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 THE MEEK SHALL INHERIT THE EARTH.
 (THE REST OF US WILL ESCAPE TO THE STARS)
 Job cpu time:       0 days 10 hours 10 minutes  8.3 seconds.
 Elapsed time:       0 days  1 hours 16 minutes 28.2 seconds.
 File lengths (MBytes):  RWF=    462 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:03:45 2021.
